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

Systemtic Name: S-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: S-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C19H21NO4S/c1-23-16-9-8-14(12-17(16)24-2)10-11-20-18(21)13-25-19(22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)