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

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-oxidanylidene-butanoic acid Openeye Name: 3-oxo-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]butanoic acid CAS Name: 2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-oxobutanoic acid IUPAC Name: 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-oxobutanoic acid Traditional Name: 3-keto-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]butyric acid Formula: C22H22N2O8S2 MolecularWeight: 506.54868

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N2O8S2/c1-13-8-10-16(11-9-13)34(30,31)33-21-18(20(27)24(21)19(14(2)25)22(28)29)23-17(26)12-32-15-6-4-3-5-7-15/h3-11,18-19,21H,12H2,1-2H3,(H,23,26)(H,28,29)