propan-2-yl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-2-phenoxybutyl)amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(2-phenoxybutanoylamino)thiophene-2-carboxylic acid isopropyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N)OC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-5-16(26-14-9-7-6-8-10-14)18(23)22-19-15(11-21)13(4)17(27-19)20(24)25-12(2)3/h6-10,12,16H,5H2,1-4H3,(H,22,23)