[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H15N3O4S/c20-10-11-22(14-6-2-1-3-7-14)17(23)12-25-18(24)13-27-19-21-15-8-4-5-9-16(15)26-19/h1-9H,11-13H2