[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H15ClN2O3S/c18-15-9-13(7-6-12(15)10-19)20-16(21)11-23-17(22)5-1-3-14-4-2-8-24-14/h2,4,6-9H,1,3,5,11H2,(H,20,21)