3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[3-(p-tolyl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[3-(4-methylphenyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[3-(p-tolyl)propanoylamino]-2-thenoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(S2)C(=O)O)C

InChI

InChI=1S/C16H17NO3S/c1-10-3-5-12(6-4-10)7-8-13(18)17-14-9-11(2)15(21-14)16(19)20/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H,19,20)