methyl 3-(chloromethyl)-2-[2-methylsulfonylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-3-enoate

Systemtic Name: methyl 3-(chloromethyl)-2-[2-methylsulfonylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: methyl 3-(chloromethyl)-2-[2-methylsulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-(chloromethyl)-2-[2-(methylsulfonylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-(chloromethyl)-2-[2-methylsulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 3-(chloromethyl)-2-[2-keto-4-(mesylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoic acid methyl ester Formula: C18H21ClN2O6S2 MolecularWeight: 460.95214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C)CCl)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SS(=O)(=O)C

Isomeric SMILES

COC(=O)C(C(=C)CCl)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SS(=O)(=O)C

InChI

InChI=1S/C18H21ClN2O6S2/c1-11(10-19)15(18(24)27-2)21-16(23)14(17(21)28-29(3,25)26)20-13(22)9-12-7-5-4-6-8-12/h4-8,14-15,17H,1,9-10H2,2-3H3,(H,20,22)