3-[cyclopropylcarbonyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[cyclopropylcarbonyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cyclopropanecarbonyl(m-tolylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]-[(3-methylphenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclopropanecarbonyl-[(3-methylphenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cyclopropanecarbonyl-(3-methylbenzyl)amino]-5-phenyl-2-thenoic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CC4

InChI

InChI=1S/C23H21NO3S/c1-15-6-5-7-16(12-15)14-24(22(25)18-10-11-18)19-13-20(28-21(19)23(26)27)17-8-3-2-4-9-17/h2-9,12-13,18H,10-11,14H2,1H3,(H,26,27)