propan-2-yl 3-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 3-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: isopropyl 3-[[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(4-ethoxyanilino)-2-oxoethyl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(p-phenetidino)ethyl]thio]methyl]benzoic acid isopropyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC(C)C

InChI

InChI=1S/C21H25NO4S/c1-4-25-19-10-8-18(9-11-19)22-20(23)14-27-13-16-6-5-7-17(12-16)21(24)26-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)