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

Systemtic Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]ethanoic acid Openeye Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]acetic acid CAS Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]acetic acid IUPAC Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]acetic acid Traditional Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]acetic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S2/c1-7-2-3-8-9(5-13)12(19-10(8)4-7)14-20(17,18)6-11(15)16/h7,14H,2-4,6H2,1H3,(H,15,16)