benzyl 2-(4-butoxyphenyl)-4-methyl-8-[(3-nitrophenyl)methylidene]-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Molecular Formula:
C
32
H
29
N
3
O
6
S
InChI:
InChI=1/C32H29N3O6S/c1-3-4-17-40-26-15-13-24(14-16-26)29-28(31(37)41-20-22-9-6-5-7-10-22)21(2)33-32-34(29)30(36)27(42-32)19-23-11-8-12-25(18-23)35(38)39/h5-16,18-19,29H,3-4,17,20H2,1-2H3
InChIKey:
InChIKey=PHQUKUCWGGMYDN-UHFFFAOYAL
SMILES:
CCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3)C)C(=O)OCC5=CC=CC=C5
Names:
benzyl 2-(4-butoxyphenyl)-4-methyl-8-[(3-nitrophenyl)methylidene]-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Registries:
PubChem CID 4471112
PubChem ID 6591289