3-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(p-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(SC3=C2CCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(SC3=C2CCCC3)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-10-6-8-11(9-7-10)16(19)18-14-12-4-2-3-5-13(12)22-15(14)17(20)21/h6-9H,2-5H2,1H3,(H,18,19)(H,20,21)