ethyl (4S)-2-(4-methoxyphenyl)-3-[(phenylmethyl)carbamothioyl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethyl (4S)-2-(4-methoxyphenyl)-3-[(phenylmethyl)carbamothioyl]-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl (4S)-3-(benzylcarbamothioyl)-2-(4-methoxyphenyl)thiazolidine-4-carboxylate CAS Name: (4S)-2-(4-methoxyphenyl)-3-[[(phenylmethyl)amino]-sulfanylidenemethyl]-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (4S)-3-(benzylcarbamothioyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (4S)-3-(benzylthiocarbamoyl)-2-(4-methoxyphenyl)thiazolidine-4-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSC(N1C(=S)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1CSC(N1C(=S)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O3S2/c1-3-26-20(24)18-14-28-19(16-9-11-17(25-2)12-10-16)23(18)21(27)22-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3,(H,22,27)/t18-,19?/m1/s1