methyl 2-(3-methylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C)C

InChI

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