[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)CCC2=CSC=C2)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)CCC2=CSC=C2)C#N

InChI

InChI=1S/C16H13ClN2O3S/c17-13-3-2-12(8-18)14(7-13)19-15(20)9-22-16(21)4-1-11-5-6-23-10-11/h2-3,5-7,10H,1,4,9H2,(H,19,20)