ethyl 4-(2-methylpropyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-4-24-20(23)18-16(12-14(2)3)13-25-19(18)21-17(22)11-10-15-8-6-5-7-9-15/h5-9,13-14H,4,12H2,1-3H3,(H,21,22)