methyl 2-[2-bromanyl-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-bromanylsulfanyl-3-methyl-butanoate

Systemtic Name: methyl 2-[2-bromanyl-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-bromanylsulfanyl-3-methyl-butanoate Openeye Name: methyl 2-[2-bromo-4-[(3-oxo-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-bromosulfanyl-3-methyl-butanoate CAS Name: 2-[2-bromo-4-[(1,3-dioxo-3-phenylpropyl)amino]-1-azetidinyl]-3-(bromothio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(3-oxo-3-phenylpropanoyl)amino]azetidin-1-yl]-3-bromosulfanyl-3-methylbutanoate Traditional Name: 2-[2-bromo-4-[(3-keto-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-(bromothio)-3-methyl-butyric acid methyl ester Formula: C18H22Br2N2O4S MolecularWeight: 522.25128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)N1C(CC1Br)NC(=O)CC(=O)C2=CC=CC=C2)SBr

Isomeric SMILES

CC(C)(C(C(=O)OC)N1C(CC1Br)NC(=O)CC(=O)C2=CC=CC=C2)SBr

InChI

InChI=1S/C18H22Br2N2O4S/c1-18(2,27-20)16(17(25)26-3)22-13(19)10-14(22)21-15(24)9-12(23)11-7-5-4-6-8-11/h4-8,13-14,16H,9-10H2,1-3H3,(H,21,24)