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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c17-14-8-12(4-3-11(14)9-18)19-15(20)10-22-16(21)6-5-13-2-1-7-23-13/h1-4,7-8H,5-6,10H2,(H,19,20)