(phenylmethyl) 2-[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]azetidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]azetidine-1-carboxylate Openeye Name: benzyl 2-[(1-formyl-3-methylsulfanyl-propyl)carbamoyl]azetidine-1-carboxylate CAS Name: 2-[[[4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]azetidine-1-carboxylate Traditional Name: 2-[[1-formyl-3-(methylthio)propyl]carbamoyl]azetidine-1-carboxylic acid benzyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C=O)NC(=O)C1CCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C=O)NC(=O)C1CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4S/c1-24-10-8-14(11-20)18-16(21)15-7-9-19(15)17(22)23-12-13-5-3-2-4-6-13/h2-6,11,14-15H,7-10,12H2,1H3,(H,18,21)