3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)benzoic acid

Systemtic Name: 3-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)benzoic acid Openeye Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)benzoic acid CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]benzoic acid IUPAC Name: 3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(13-9-21-14-7-2-1-6-12(13)14)17-11-5-3-4-10(8-11)16(19)20/h3-5,8-9H,1-2,6-7H2,(H,17,18)(H,19,20)