cyanomethyl 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC#N)OC

InChI

InChI=1S/C19H18N2O5S/c1-24-15-8-7-13(11-16(15)25-2)21-18(22)12-27-17-6-4-3-5-14(17)19(23)26-10-9-20/h3-8,11H,10,12H2,1-2H3,(H,21,22)