methyl 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[2-(methylthio)phenyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-(methylthio)phenyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H20N2O4S3 MolecularWeight: 412.5467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C17H20N2O4S3/c1-23-17(20)16-15(7-12-25-16)26(21,22)19-10-8-18(9-11-19)13-5-3-4-6-14(13)24-2/h3-7,12H,8-11H2,1-2H3