ethyl 4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]benzoate Traditional Name: 4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H30N2O11S MolecularWeight: 554.5668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C24H30N2O11S/c1-6-32-23(31)16-7-9-17(10-8-16)25-24(38)26-22-21(36-15(5)30)20(35-14(4)29)19(34-13(3)28)18(37-22)11-33-12(2)27/h7-10,18-22H,6,11H2,1-5H3,(H2,25,26,38)