methyl 3-[[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(3,4-diethoxyanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(3,4-diethoxyanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(3,4-diethoxyanilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-4-26-18-10-9-17(12-19(18)27-5-2)22-20(23)14-28-13-15-7-6-8-16(11-15)21(24)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)