methyl 5-methylsulfanyl-4-[4-(phenylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[4-(phenylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylate Openeye Name: methyl 4-(4-benzylthiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[4-(phenylmethyl)-2-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzyl-1,3-thiazol-2-yl)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(4-benzylthiazol-2-yl)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C17H15NO2S3 MolecularWeight: 361.5015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C17H15NO2S3/c1-20-16(19)14-9-13(17(21-2)23-14)15-18-12(10-22-15)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3