[(4-methoxyphenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate

Systemtic Name: [(4-methoxyphenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate Openeye Name: [isobutyl-[(4-methoxyphenyl)methylsulfanyl]carbamoyl] 2-cyanopyrrolidine-1-carboxylate CAS Name: 2-cyano-1-pyrrolidinecarboxylic acid [[[(4-methoxyphenyl)methylthio]-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-methoxyphenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyanopyrrolidine-1-carboxylate Traditional Name: 2-cyanopyrrolidine-1-carboxylic acid [isobutyl-(p-anisylthio)carbamoyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CCCC1C#N)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CCCC1C#N)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25N3O4S/c1-14(2)12-22(27-13-15-6-8-17(25-3)9-7-15)19(24)26-18(23)21-10-4-5-16(21)11-20/h6-9,14,16H,4-5,10,12-13H2,1-3H3