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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21NO3S/c1-13-8-9-14(2)19(10-13)26-12-20(24)25-11-18(23)21-15(3)22-17-7-5-4-6-16(17)21/h4-10,22H,11-12H2,1-3H3