4-[3-[(E)-[3-methoxycarbonyl-4-methyl-9-oxo-2-(4-propan-2-ylphenyl)-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-dien-8-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid
Molecular Formula:
C
32
H
31
N
3
O
5
S
InChI:
InChI=1/C32H31N3O5S/c1-17(2)21-7-9-22(10-8-21)28-27(31(39)40-6)19(4)33-32-35(28)29(36)26(41-32)16-24-15-18(3)34(20(24)5)25-13-11-23(12-14-25)30(37)38/h7-17,28H,1-6H3,(H,37,38)/b26-16+/f/h37H
InChIKey:
InChIKey=QXJGSFHPCWZNOM-RGJMZUGODA
SMILES:
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=C(C=C5)C(C)C
Names:
4-[3-[(E)-[3-methoxycarbonyl-4-methyl-9-oxo-2-(4-propan-2-ylphenyl)-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-dien-8-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid
Registries:
PubChem CID 6392313
PubChem ID 11611042