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

Systemtic Name: (E)-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-pyrrolidin-1-yl-but-2-enoic acid Openeye Name: (E)-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]-3-pyrrolidin-1-yl-but-2-enoic acid CAS Name: (E)-2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-(1-pyrrolidinyl)-2-butenoic acid IUPAC Name: (E)-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-pyrrolidin-1-ylbut-2-enoic acid Traditional Name: (E)-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]-3-pyrrolidino-but-2-enoic acid Formula: C26H29N3O7S2 MolecularWeight: 559.65436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C(C)N3CCCC3)C(=O)O)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2/C(=C(\C)/N3CCCC3)/C(=O)O)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O7S2/c1-17-10-12-20(13-11-17)38(34,35)37-25-22(27-21(30)16-36-19-8-4-3-5-9-19)24(31)29(25)23(26(32)33)18(2)28-14-6-7-15-28/h3-5,8-13,22,25H,6-7,14-16H2,1-2H3,(H,27,30)(H,32,33)/b23-18+