S-[2-[4-oxidanylidene-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[4-oxidanylidene-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethyl] benzenecarbothioate Openeye Name: S-[2-[4-oxo-2-(2,3,4-trimethoxyphenyl)thiazolidin-3-yl]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[4-oxo-2-(2,3,4-trimethoxyphenyl)-3-thiazolidinyl]ethyl] ester IUPAC Name: S-[2-[4-oxo-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[4-keto-2-(2,3,4-trimethoxyphenyl)thiazolidin-3-yl]ethyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2N(C(=O)CS2)CCSC(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2N(C(=O)CS2)CCSC(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H23NO5S2/c1-25-16-10-9-15(18(26-2)19(16)27-3)20-22(17(23)13-29-20)11-12-28-21(24)14-7-5-4-6-8-14/h4-10,20H,11-13H2,1-3H3