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

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCC2=CSC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCC2=CSC=C2

InChI

InChI=1S/C17H15ClN2O3S/c1-11(23-16(21)5-2-12-6-7-24-10-12)17(22)20-14-4-3-13(9-19)15(18)8-14/h3-4,6-8,10-11H,2,5H2,1H3,(H,20,22)