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

Systemtic Name: [2-[(3R)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[(3R)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)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-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[(3R)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)CSC3=CC=CC=C3C)NC1=O

Isomeric SMILES

C[C@@H]1C2=C(C=CC(=C2)C(=O)COC(=O)CSC3=CC=CC=C3C)NC1=O

InChI

InChI=1S/C20H19NO4S/c1-12-5-3-4-6-18(12)26-11-19(23)25-10-17(22)14-7-8-16-15(9-14)13(2)20(24)21-16/h3-9,13H,10-11H2,1-2H3,(H,21,24)/t13-/m1/s1