5-[(4-methylphenyl)carbonylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[(4-methylphenyl)carbonylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[(4-methylbenzoyl)amino]benzothiophene-2-carboxylic acid CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-(p-toluoylamino)benzothiophene-2-carboxylic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

InChI

InChI=1S/C17H13NO3S/c1-10-2-4-11(5-3-10)16(19)18-13-6-7-14-12(8-13)9-15(22-14)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)