3-methyl-2-[2-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid

Systemtic Name: 3-methyl-2-[2-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid Openeye Name: 3-methyl-2-[2-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(1-phenyliminoethyldisulfanyl)-1-azetidinyl]-3-butenoic acid IUPAC Name: 3-methyl-2-[2-[(C-methyl-N-phenylcarbonimidoyl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid Traditional Name: 2-[2-keto-4-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC(=NC3=CC=CC=C3)C

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC(=NC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O5S2/c1-15(2)21(24(30)31)27-22(29)20(26-19(28)14-32-18-12-8-5-9-13-18)23(27)34-33-16(3)25-17-10-6-4-7-11-17/h4-13,20-21,23H,1,14H2,2-3H3,(H,26,28)(H,30,31)