[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

InChI

InChI=1S/C18H16ClN3O4S/c19-14-5-3-12(4-6-14)17(25)21-8-1-2-16(24)26-11-15(23)22-18-13(10-20)7-9-27-18/h3-7,9H,1-2,8,11H2,(H,21,25)(H,22,23)