(3-cyanophenyl)methyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid (3-cyanobenzyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C20H20N2O3S/c1-14-6-7-18(15(2)8-14)22-19(23)12-26-13-20(24)25-11-17-5-3-4-16(9-17)10-21/h3-9H,11-13H2,1-2H3,(H,22,23)