diethyl 2-(phenylmethylsulfanyl)-5H-1,3-thiazole-4,4-dicarboxylate

Systemtic Name: diethyl 2-(phenylmethylsulfanyl)-5H-1,3-thiazole-4,4-dicarboxylate Openeye Name: diethyl 2-benzylsulfanyl-5H-thiazole-4,4-dicarboxylate CAS Name: 2-(phenylmethylthio)-5H-thiazole-4,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-benzylsulfanyl-5H-1,3-thiazole-4,4-dicarboxylate Traditional Name: 2-(benzylthio)-2-thiazoline-4,4-dicarboxylic acid diethyl ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC(=N1)SCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CSC(=N1)SCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H19NO4S2/c1-3-20-13(18)16(14(19)21-4-2)11-23-15(17-16)22-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3