[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H16N2O5S/c1-13-6-7-17-14(10-13)16(24)11-18(28-17)21(26)27-12-20(25)23-15-4-2-3-5-19(15)29-9-8-22/h2-7,10-11H,9,12H2,1H3,(H,23,25)