[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(=O)NCCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CSC=C1C(=O)NCCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O4S/c17-5-1-8-20(9-2-6-18)14(21)11-24-15(22)3-7-19-16(23)13-4-10-25-12-13/h4,10,12H,1-3,7-9,11H2,(H,19,23)