methyl (2S)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C16H24N2O5S3 MolecularWeight: 420.56716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H24N2O5S3/c1-23-16(20)13(7-11-24-2)17-15(19)12-5-8-18(9-6-12)26(21,22)14-4-3-10-25-14/h3-4,10,12-13H,5-9,11H2,1-2H3,(H,17,19)/t13-/m0/s1