(3-ethoxycarbonyl-9-hydroxy-4-methyl-2-phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-dien-9-yl)-phenyl-propan-2-yl-azanium
Molecular Formula:
C
25
H
30
N
3
O
3
S
+
InChI:
InChI=1/C25H29N3O3S/c1-5-31-23(29)21-18(4)26-24-28(22(21)19-12-8-6-9-13-19)25(30,16-32-24)27(17(2)3)20-14-10-7-11-15-20/h6-15,17,22,30H,5,16H2,1-4H3/p+1/fC25H30N3O3S/h27H/q+1
InChIKey:
InChIKey=QHOIHUYGATYQCJ-GRTOWJOFCJ
SMILES:
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(CS2)([NH+](C4=CC=CC=C4)C(C)C)O)C
Names:
(3-ethoxycarbonyl-9-hydroxy-4-methyl-2-phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-dien-9-yl)-phenyl-propan-2-yl-azanium
Registries:
PubChem CID 4508090
PubChem ID 6632641