butyl 5-aminocarbonyl-4-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: butyl 5-aminocarbonyl-4-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: butyl 5-carbamoyl-4-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid butyl ester IUPAC Name: butyl 5-carbamoyl-4-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid butyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4S/c1-3-4-12-26-20(25)16-13(2)17(18(21)24)27-19(16)22-15(23)11-10-14-8-6-5-7-9-14/h5-9H,3-4,12H2,1-2H3,(H2,21,24)(H,22,23)