[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H16N4O4S/c18-7-3-9-21(10-4-8-19)15(22)11-24-16(23)12-26-17-20-13-5-1-2-6-14(13)25-17/h1-2,5-6H,3-4,9-12H2