[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17NO4S2/c1-27-17-9-7-14(8-10-17)18(23)13-26-21(25)15-4-2-5-16(12-15)22-20(24)19-6-3-11-28-19/h2-12H,13H2,1H3,(H,22,24)