4-[5-[(2-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-[(2-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(o-tolylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[(2-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[(2-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-(o-tolylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]butyric acid Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2CCC3=C(C2)C=C(S3)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2CCC3=C(C2)C=C(S3)C(=O)CCC(=O)O

InChI

InChI=1S/C19H21NO5S2/c1-12-4-2-3-5-18(12)27(24,25)20-14-6-8-16-13(10-14)11-17(26-16)15(21)7-9-19(22)23/h2-5,11,14,20H,6-10H2,1H3,(H,22,23)