methyl 4-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C20H22N2O4S/c1-13-4-9-17(14(2)10-13)22-19(24)12-27-11-18(23)21-16-7-5-15(6-8-16)20(25)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)