[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CSC2=CC=CC=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CSC2=CC=CC=C2C)C

InChI

InChI=1S/C21H25NO3S/c1-14-9-10-18(11-16(14)3)17(4)22-20(23)12-25-21(24)13-26-19-8-6-5-7-15(19)2/h5-11,17H,12-13H2,1-4H3,(H,22,23)