2-[3-(4-methoxyphenyl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4-(p-tolyl)-3-thenoic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO4S/c1-14-3-8-16(9-4-14)18-13-28-21(20(18)22(25)26)23-19(24)12-7-15-5-10-17(27-2)11-6-15/h3-6,8-11,13H,7,12H2,1-2H3,(H,23,24)(H,25,26)