[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H23N3O3S/c1-13(2)23-14(3)11-16(15(23)4)20(25)26-12-19(24)22-17-7-5-6-8-18(17)27-10-9-21/h5-8,11,13H,10,12H2,1-4H3,(H,22,24)