prop-2-enyl 4-ethanoylsulfanyl-2-[(3-methylphenyl)-prop-2-enoxycarbonyl-carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-ethanoylsulfanyl-2-[(3-methylphenyl)-prop-2-enoxycarbonyl-carbamoyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-[allyloxycarbonyl(m-tolyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(3-methyl-N-[oxo(prop-2-enoxy)methyl]anilino)-oxomethyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-[(3-methylphenyl)-prop-2-enoxycarbonylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[allyloxycarbonyl(m-tolyl)carbamoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=O)C2CC(CN2C(=O)OCC=C)SC(=O)C)C(=O)OCC=C

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=O)C2CC(CN2C(=O)OCC=C)SC(=O)C)C(=O)OCC=C

InChI

InChI=1S/C22H26N2O6S/c1-5-10-29-21(27)23-14-18(31-16(4)25)13-19(23)20(26)24(22(28)30-11-6-2)17-9-7-8-15(3)12-17/h5-9,12,18-19H,1-2,10-11,13-14H2,3-4H3