2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[homoveratryl(methyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-21(11-10-14-8-9-16(25-2)17(12-14)26-3)19(22)13-27-18-7-5-4-6-15(18)20(23)24/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)