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

Systemtic Name: 2-(3-methylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: 2-(3-methylbutanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate IUPAC Name: 2-(3-methylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-(p-tolyl)-3-thenoate Formula: C17H18NO3S- MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)CC(C)C

InChI

InChI=1S/C17H19NO3S/c1-10(2)8-14(19)18-16-15(17(20)21)13(9-22-16)12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,18,19)(H,20,21)/p-1