[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC3=C(C=C2)N(C(=O)C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC3=C(C=C2)N(C(=O)C3)C

InChI

InChI=1S/C21H21NO5S/c1-3-26-16-5-7-17(8-6-16)28-13-21(25)27-12-19(23)14-4-9-18-15(10-14)11-20(24)22(18)2/h4-10H,3,11-13H2,1-2H3