[3,4,5-triacetyloxy-6-[(4-ethoxyphenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[(4-ethoxyphenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(4-ethoxyphenyl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(4-ethoxyphenyl)carbamothioylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(p-phenetylthiocarbamoylamino)tetrahydropyran-2-yl]methyl ester Formula: C23H30N2O10S MolecularWeight: 526.5567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H30N2O10S/c1-6-30-17-9-7-16(8-10-17)24-23(36)25-22-21(34-15(5)29)20(33-14(4)28)19(32-13(3)27)18(35-22)11-31-12(2)26/h7-10,18-22H,6,11H2,1-5H3,(H2,24,25,36)