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

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoate Formula: C19H20NO5S- MolecularWeight: 374.4308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2C(=O)[O-])OC

InChI

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