methyl 4-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(prop-2-enoxycarbonylamino)oxan-2-yl]sulfanylbutanoate

Systemtic Name: methyl 4-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(prop-2-enoxycarbonylamino)oxan-2-yl]sulfanylbutanoate Openeye Name: methyl 4-[4,5-diacetoxy-6-(acetoxymethyl)-3-(allyloxycarbonylamino)tetrahydropyran-2-yl]sulfanylbutanoate CAS Name: 4-[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-[[oxo(prop-2-enoxy)methyl]amino]-2-oxanyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(prop-2-enoxycarbonylamino)oxan-2-yl]sulfanylbutanoate Traditional Name: 4-[[4,5-diacetoxy-6-(acetoxymethyl)-3-(allyloxycarbonylamino)tetrahydropyran-2-yl]thio]butyric acid methyl ester Formula: C21H31NO11S MolecularWeight: 505.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCCC(=O)OC)NC(=O)OCC=C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCCCC(=O)OC)NC(=O)OCC=C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H31NO11S/c1-6-9-29-21(27)22-17-19(32-14(4)25)18(31-13(3)24)15(11-30-12(2)23)33-20(17)34-10-7-8-16(26)28-5/h6,15,17-20H,1,7-11H2,2-5H3,(H,22,27)