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

Systemtic Name: 3-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H20N2O4S/c26-20(14-7-2-1-3-8-14)25-22-19(17-11-4-5-12-18(17)30-22)21(27)24-16-10-6-9-15(13-16)23(28)29/h1-3,6-10,13H,4-5,11-12H2,(H,24,27)(H,25,26)(H,28,29)