5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylate IUPAC Name: 5-methyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5-methyl-4-phenyl-3-thenoate Formula: C17H18NO3S- MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)[O-])C2=CC=CC=C2

InChI

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