[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C(C)C

InChI

InChI=1S/C18H19N3O4S/c1-11(2)17-16(12(3)21-25-17)18(23)24-10-15(22)20-13-6-4-5-7-14(13)26-9-8-19/h4-7,11H,9-10H2,1-3H3,(H,20,22)