[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCCC2=CC=CS2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C18H17ClN2O3S/c1-12(24-17(22)6-2-4-15-5-3-9-25-15)18(23)21-14-8-7-13(11-20)16(19)10-14/h3,5,7-10,12H,2,4,6H2,1H3,(H,21,23)/t12-/m1/s1