[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)C2=CC=CS2

InChI

InChI=1S/C18H16ClN3O4S/c1-11(23)21-15(16-3-2-6-27-16)8-18(25)26-10-17(24)22-13-5-4-12(9-20)14(19)7-13/h2-7,15H,8,10H2,1H3,(H,21,23)(H,22,24)