2-(1-benzothiophen-2-ylcarbonylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-ylcarbonylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-(benzothiophene-2-carbonylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid CAS Name: 2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1-benzothiophene-2-carbonylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-(benzothiophene-2-carbonylamino)-4-(3,4-dimethylphenyl)-3-thenoic acid Formula: C22H17NO3S2 MolecularWeight: 407.50528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H17NO3S2/c1-12-7-8-14(9-13(12)2)16-11-27-21(19(16)22(25)26)23-20(24)18-10-15-5-3-4-6-17(15)28-18/h3-11H,1-2H3,(H,23,24)(H,25,26)