3-methyl-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid

Systemtic Name: 3-methyl-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid Openeye Name: 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-3-enoic acid CAS Name: 3-methyl-2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid IUPAC Name: 3-methyl-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C23H24N2O7S2 MolecularWeight: 504.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(C(=C)C)C(=O)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(C(=C)C)C(=O)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O7S2/c1-14(2)20(23(28)29)25-21(27)19(24-18(26)13-32-16-7-5-4-6-8-16)22(25)33-34(30,31)17-11-9-15(3)10-12-17/h4-12,19-20,22H,1,13H2,2-3H3,(H,24,26)(H,28,29)