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

Systemtic Name: 4-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-10-2-7-13-14(9-22-15(13)8-10)16(19)18-12-5-3-11(4-6-12)17(20)21/h3-6,9-10H,2,7-8H2,1H3,(H,18,19)(H,20,21)