ethyl (Z)-3-[(4-chlorophenyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamoyl]but-2-enoate

Systemtic Name: ethyl (Z)-3-[(4-chlorophenyl)amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamoyl]but-2-enoate Openeye Name: ethyl (Z)-3-(4-chloroanilino)-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamoyl]but-2-enoate CAS Name: (Z)-3-(4-chloroanilino)-2-[oxo-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]methyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(4-chloroanilino)-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamoyl]but-2-enoate Traditional Name: (Z)-3-(4-chloroanilino)-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamoyl]but-2-enoic acid ethyl ester Formula: C27H33ClN2O12 MolecularWeight: 613.01012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=CC=C(C=C1)Cl)C(=O)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=CC=C(C=C1)Cl)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H33ClN2O12/c1-7-37-27(36)21(13(2)29-19-10-8-18(28)9-11-19)25(35)30-26-24(41-17(6)34)23(40-16(5)33)22(39-15(4)32)20(42-26)12-38-14(3)31/h8-11,20,22-24,26,29H,7,12H2,1-6H3,(H,30,35)/b21-13-/t20-,22-,23+,24-,26-/m1/s1