[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CSC2=CC=CC=C2)OC

InChI

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