3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]propanoic acid Openeye Name: 3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]propanoic acid CAS Name: 3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]propanoic acid IUPAC Name: 3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]propanoic acid Traditional Name: 3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]propionic acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H16N2O4S2/c1-8-2-3-9-10(7-14)13(20-11(9)6-8)15-21(18,19)5-4-12(16)17/h8,15H,2-6H2,1H3,(H,16,17)