2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)C#N

InChI

InChI=1S/C17H14N2O3S/c18-9-13-10-5-3-4-8-14(10)23-16(13)19-15(20)11-6-1-2-7-12(11)17(21)22/h1-2,6-7H,3-5,8H2,(H,19,20)(H,21,22)