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

Systemtic Name: [3,4,5-triacetyloxy-6-[(2-methylphenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(o-tolylcarbamothioylamino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(2-methylanilino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(2-methylphenyl)carbamothioylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(o-tolylthiocarbamoylamino)tetrahydropyran-2-yl]methyl ester Formula: C22H28N2O9S MolecularWeight: 496.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H28N2O9S/c1-11-8-6-7-9-16(11)23-22(34)24-21-20(32-15(5)28)19(31-14(4)27)18(30-13(3)26)17(33-21)10-29-12(2)25/h6-9,17-21H,10H2,1-5H3,(H2,23,24,34)