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

Systemtic Name: 2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: 2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylate IUPAC Name: 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-phenyl-3-thenoate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO3S/c1-10(2)8-13(18)17-15-14(16(19)20)12(9-21-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)(H,19,20)/p-1