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

Systemtic Name: 5-methyl-2-[3-(4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 5-methyl-2-[3-(p-tolyl)propanoylamino]thiophene-3-carboxylic acid CAS Name: 5-methyl-2-[[3-(4-methylphenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-methyl-2-[3-(4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 5-methyl-2-[3-(p-tolyl)propanoylamino]-3-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=C(C=C(S2)C)C(=O)O

Isomeric SMILES

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

InChI

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