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

Systemtic Name: 5-methyl-2-(3-methylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylic acid Openeye Name: 5-methyl-2-(3-methylbutanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 5-methyl-2-(3-methylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-(isovalerylamino)-5-methyl-4-(p-tolyl)-3-thenoic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC(C)C)C

InChI

InChI=1S/C18H21NO3S/c1-10(2)9-14(20)19-17-16(18(21)22)15(12(4)23-17)13-7-5-11(3)6-8-13/h5-8,10H,9H2,1-4H3,(H,19,20)(H,21,22)