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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=CC=C1C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N(CC1=CC=CC=C1C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-3-20(24)23(14-17-12-8-7-9-15(17)2)18-13-19(27-21(18)22(25)26)16-10-5-4-6-11-16/h4-13H,3,14H2,1-2H3,(H,25,26)