tert-butyl (2S)-2-[[(3R)-4-[2,4-bis(fluoranyl)phenyl]sulfonyl-1,1-bis(oxidanylidene)-1,4-thiazinan-3-yl]carbonylamino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(3R)-4-[2,4-bis(fluoranyl)phenyl]sulfonyl-1,1-bis(oxidanylidene)-1,4-thiazinan-3-yl]carbonylamino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: tert-butyl (2S)-2-[[(3R)-4-(2,4-difluorophenyl)sulfonyl-1,1-dioxo-1,4-thiazinane-3-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: (2S)-2-[[[(3R)-4-(2,4-difluorophenyl)sulfonyl-1,1-dioxo-1,4-thiazinan-3-yl]-oxomethyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(3R)-4-(2,4-difluorophenyl)sulfonyl-1,1-dioxo-1,4-thiazinane-3-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: (2S)-2-[[(3R)-4-(2,4-difluorophenyl)sulfonyl-1,1-diketo-1,4-thiazinane-3-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid tert-butyl ester Formula: C27H33F2N3O9S2 MolecularWeight: 645.692426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C2CS(=O)(=O)CCN2S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)[C@@H]2CS(=O)(=O)CCN2S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C27H33F2N3O9S2/c1-27(2,3)41-25(34)21(14-17-6-9-19(10-7-17)40-26(35)31(4)5)30-24(33)22-16-42(36,37)13-12-32(22)43(38,39)23-11-8-18(28)15-20(23)29/h6-11,15,21-22H,12-14,16H2,1-5H3,(H,30,33)/t21-,22-/m0/s1