[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S2/c1-12-20(14-5-3-4-6-15(14)22-12)17(24)11-30-19(25)10-21-32(28,29)13-7-8-18(31-2)16(9-13)23(26)27/h3-9,21-22H,10-11H2,1-2H3