ethyl 5-methylsulfanyl-3-phenyl-4-(phenylcarbonyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-3-phenyl-4-(phenylcarbonyl)thiophene-2-carboxylate Openeye Name: ethyl 4-benzoyl-5-methylsulfanyl-3-phenyl-thiophene-2-carboxylate CAS Name: 4-benzoyl-5-(methylthio)-3-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyl-5-methylsulfanyl-3-phenylthiophene-2-carboxylate Traditional Name: 4-benzoyl-5-(methylthio)-3-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H18O3S2 MolecularWeight: 382.49582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H18O3S2/c1-3-24-20(23)19-16(14-10-6-4-7-11-14)17(21(25-2)26-19)18(22)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3