2-(2-ethylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-4-12(5-2)16(20)19-17-15(18(21)22)14(10-23-17)13-8-6-11(3)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,19,20)(H,21,22)