[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2C)C

InChI

InChI=1S/C21H25NO3S/c1-15-8-9-19(17(3)12-15)26-14-21(24)25-13-20(23)22-11-10-18-7-5-4-6-16(18)2/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,23)