2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-methoxycarbonyl-3-thienyl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-methoxycarbonyl-3-thiophenyl)sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-carbomethoxy-3-thienyl)sulfonylamino]-4-(methylthio)butyric acid Formula: C11H15NO6S3 MolecularWeight: 353.4349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C11H15NO6S3/c1-18-11(15)9-8(4-6-20-9)21(16,17)12-7(10(13)14)3-5-19-2/h4,6-7,12H,3,5H2,1-2H3,(H,13,14)