phenethyl 4-[(E)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate

Systemtic Name: phenethyl 4-[(E)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Openeye Name: phenethyl 4-[(E)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoate CAS Name: 4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid phenethyl ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)SC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)/SC1=S

InChI

InChI=1S/C20H17NO3S2/c1-21-18(22)17(26-20(21)25)13-15-7-9-16(10-8-15)19(23)24-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/b17-13+