[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate hydrochloride

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate hydrochloride Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(4-acetamidophenyl)sulfanylacetate hydrochloride CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester hydrochloride IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate hydrochloride Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester hydrochloride Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CNC3=CC=CC=C32.Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CNC3=CC=CC=C32.Cl

InChI

InChI=1S/C20H18N2O4S.ClH/c1-13(23)22-14-6-8-15(9-7-14)27-12-20(25)26-11-19(24)17-10-21-18-5-3-2-4-16(17)18;/h2-10,21H,11-12H2,1H3,(H,22,23);1H