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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21NO5S/c1-23-16-9-8-14(12-17(16)24-2)20-18(21)13-25-19(22)10-11-26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)