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

Systemtic Name: 3-[[2-methyl-3-(2-methylphenyl)propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-methyl-3-(o-tolyl)propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-methyl-3-(2-methylphenyl)-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-methyl-3-(2-methylphenyl)propanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-methyl-3-(o-tolyl)propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(C)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-14-8-6-7-11-17(14)12-15(2)21(24)23-18-13-19(27-20(18)22(25)26)16-9-4-3-5-10-16/h3-11,13,15H,12H2,1-2H3,(H,23,24)(H,25,26)