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

Systemtic Name: methyl 3-methyl-2-[2-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: methyl 3-methyl-2-[2-[(C-methyl-N-phenyl-carbonimidoyl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(1-phenyliminoethyldisulfanyl)-1-azetidinyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-[(C-methyl-N-phenylcarbonimidoyl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate 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 methyl ester Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5S2/c1-16(2)22(25(31)32-4)28-23(30)21(27-20(29)15-33-19-13-9-6-10-14-19)24(28)35-34-17(3)26-18-11-7-5-8-12-18/h5-14,21-22,24H,1,15H2,2-4H3,(H,27,29)