prop-2-enyl 2-[2-[5-methyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate

Systemtic Name: prop-2-enyl 2-[2-[5-methyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate Openeye Name: allyl 2-[2-[5-methyl-1-(p-tolylsulfonyl)pyrazol-4-yl]sulfonyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate CAS Name: 2-[2-[[5-methyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]sulfonyl]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[2-[5-methyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]sulfonyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate Traditional Name: 2-[2-keto-4-(5-methyl-1-tosyl-pyrazol-4-yl)sulfonyl-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid allyl ester Formula: C27H28N4O9S2 MolecularWeight: 616.66262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)S(=O)(=O)C3C(C(=O)N3CC(=O)OCC=C)NC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)S(=O)(=O)C3C(C(=O)N3CC(=O)OCC=C)NC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O9S2/c1-4-14-39-24(33)16-30-26(34)25(29-23(32)17-40-20-8-6-5-7-9-20)27(30)41(35,36)22-15-28-31(19(22)3)42(37,38)21-12-10-18(2)11-13-21/h4-13,15,25,27H,1,14,16-17H2,2-3H3,(H,29,32)