[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-14-8-12-9-16(22-19(12)17(10-14)26-2)20(24)27-11-18(23)21-13-4-6-15(28-3)7-5-13/h4-10,22H,11H2,1-3H3,(H,21,23)