[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[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] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-21(9-4-8-19)16(22)12-25-18(24)13-5-2-6-14(11-13)20-17(23)15-7-3-10-26-15/h2-3,5-7,10-11H,4,9,12H2,1H3,(H,20,23)