2-(1-benzothiophen-3-ylmethylcarbamoyl)benzoic acid

Systemtic Name: 2-(1-benzothiophen-3-ylmethylcarbamoyl)benzoic acid Openeye Name: 2-(benzothiophen-3-ylmethylcarbamoyl)benzoic acid CAS Name: 2-[(1-benzothiophen-3-ylmethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(1-benzothiophen-3-ylmethylcarbamoyl)benzoic acid Traditional Name: 2-(benzothiophen-3-ylmethylcarbamoyl)benzoic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13NO3S/c19-16(13-6-1-2-7-14(13)17(20)21)18-9-11-10-22-15-8-4-3-5-12(11)15/h1-8,10H,9H2,(H,18,19)(H,20,21)