(phenylmethyl) (2S)-2-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O5S/c1-25-18(23)15(10-12-27-2)20-17(22)16-9-6-11-21(16)19(24)26-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,20,22)/t15?,16-/m0/s1