[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C21H22N2O4S/c1-3-4-15-5-7-16(8-6-15)18(24)9-10-19(25)27-14(2)20(26)23-21-17(13-22)11-12-28-21/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,23,26)/t14-/m1/s1