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

Systemtic Name: methyl 2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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