[(2S,4S)-4-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl ethanoate

Systemtic Name: [(2S,4S)-4-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl ethanoate Openeye Name: [(2S,4S)-4-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl acetate CAS Name: acetic acid [(2S,4S)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,4S)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl acetate Traditional Name: acetic acid [(2S,4S)-4-[5-[(E)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-1-tosyl-pyrrolidin-2-yl]methyl ester Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COC(=O)C)N3C=C(C(=O)NC3=O)C=CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2COC(=O)C)N3C=C(C(=O)NC3=O)/C=C/Br

InChI

InChI=1S/C20H22BrN3O6S/c1-13-3-5-18(6-4-13)31(28,29)24-11-16(9-17(24)12-30-14(2)25)23-10-15(7-8-21)19(26)22-20(23)27/h3-8,10,16-17H,9,11-12H2,1-2H3,(H,22,26,27)/b8-7+/t16-,17-/m0/s1