ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-phenylpropanoylamino)-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylate CAS Name: 5-(4,4-dimethylpentan-2-yl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,4-dimethylpentan-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)CC(C)(C)C)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)CC(C)(C)C)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H31NO3S/c1-6-27-22(26)18-14-19(16(2)15-23(3,4)5)28-21(18)24-20(25)13-12-17-10-8-7-9-11-17/h7-11,14,16H,6,12-13,15H2,1-5H3,(H,24,25)