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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC(C)C

InChI

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