[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H18N4O3S/c19-9-3-11-22(12-4-10-20)17(23)13-25-18(24)8-7-16-21-14-5-1-2-6-15(14)26-16/h1-2,5-6H,3-4,7-8,11-13H2