(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: C25H30N3O3S+


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