2-(butanoylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(butanoylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-(butanoylamino)-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 5-methyl-4-(4-methylphenyl)-2-(1-oxobutylamino)-3-thiophenecarboxylic acid IUPAC Name: 2-(butanoylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-butyramido-5-methyl-4-(p-tolyl)-3-thenoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-4-5-13(19)18-16-15(17(20)21)14(11(3)22-16)12-8-6-10(2)7-9-12/h6-9H,4-5H2,1-3H3,(H,18,19)(H,20,21)