[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3)SCC#N

InChI

InChI=1S/C21H16N2O6S/c22-9-10-30-18-4-2-1-3-16(18)23-19(24)12-28-21(26)13-27-15-7-5-14-6-8-20(25)29-17(14)11-15/h1-8,11H,10,12-13H2,(H,23,24)