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

Systemtic Name: [2-[(3R)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(3R)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic 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] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [2-keto-2-[(3R)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)C(C)SC3=CC=C(C=C3)C)NC1=O

Isomeric SMILES

C[C@@H]1C2=C(C=CC(=C2)C(=O)COC(=O)[C@@H](C)SC3=CC=C(C=C3)C)NC1=O

InChI

InChI=1S/C21H21NO4S/c1-12-4-7-16(8-5-12)27-14(3)21(25)26-11-19(23)15-6-9-18-17(10-15)13(2)20(24)22-18/h4-10,13-14H,11H2,1-3H3,(H,22,24)/t13-,14-/m1/s1