[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)N(CCC#N)CCC#N)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)N(CCC#N)CCC#N)SC=N2

InChI

InChI=1S/C16H14N4O3S/c17-5-1-7-20(8-2-6-18)15(21)10-23-16(22)12-3-4-13-14(9-12)24-11-19-13/h3-4,9,11H,1-2,7-8,10H2