(2,3,6-trimethylphenyl) 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid (2,3,6-trimethylphenyl) ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OC2=C(C=CC(=C2C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OC2=C(C=CC(=C2C)C)C

InChI

InChI=1S/C20H23NO3S/c1-13-6-5-7-17(10-13)21-18(22)11-25-12-19(23)24-20-15(3)9-8-14(2)16(20)4/h5-10H,11-12H2,1-4H3,(H,21,22)