[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CS2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CS2

InChI

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