O-[(2R,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(2R,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] methylsulfanylmethanethioate Openeye Name: O-[(2R,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(2R,4aR,6S,7R,8R,8aS)-6-(ethylthio)-7-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: O-[(2R,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(2R,4aR,6S,7R,8R,8aS)-6-(ethylthio)-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C20H24Cl3NO6S3 MolecularWeight: 576.96166

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=S)SC)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=S)SC)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C20H24Cl3NO6S3/c1-3-33-17-13(24-18(25)27-10-20(21,22)23)15(30-19(31)32-2)14-12(28-17)9-26-16(29-14)11-7-5-4-6-8-11/h4-8,12-17H,3,9-10H2,1-2H3,(H,24,25)/t12-,13-,14-,15-,16-,17+/m1/s1