[2-[(3R)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[(3R)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-[(3R)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-keto-2-[(3R)-2-keto-3-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)NC(=O)C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC3=C(C=C2)NC(=O)[C@@H]3C

InChI

InChI=1S/C21H21NO5S/c1-3-26-15-5-7-16(8-6-15)28-12-20(24)27-11-19(23)14-4-9-18-17(10-14)13(2)21(25)22-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1