methyl (Z)-3-[[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]methyl]-4-bromanyl-but-2-enoate

Systemtic Name: methyl (Z)-3-[[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]methyl]-4-bromanyl-but-2-enoate Openeye Name: methyl (Z)-3-(bromomethyl)-4-[2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate CAS Name: (Z)-3-(bromomethyl)-4-[2-[(2,5-dioxo-1-pyrrolidinyl)thio]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(bromomethyl)-4-[2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate Traditional Name: (Z)-3-(bromomethyl)-4-[2-keto-3-[(2-phenylacetyl)amino]-4-(succinimidothio)azetidin-1-yl]but-2-enoic acid methyl ester Formula: C21H22BrN3O6S MolecularWeight: 524.38488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(CN1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SN3C(=O)CCC3=O)CBr

Isomeric SMILES

COC(=O)/C=C(/CN1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SN3C(=O)CCC3=O)\CBr

InChI

InChI=1S/C21H22BrN3O6S/c1-31-18(29)10-14(11-22)12-24-20(30)19(21(24)32-25-16(27)7-8-17(25)28)23-15(26)9-13-5-3-2-4-6-13/h2-6,10,19,21H,7-9,11-12H2,1H3,(H,23,26)/b14-10+