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

Systemtic Name: [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(2-nitrophenyl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(2-nitrophenyl)carbamothioylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[(2-nitrophenyl)thiocarbamoylamino]tetrahydropyran-2-yl]methyl ester Formula: C21H25N3O11S MolecularWeight: 527.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H25N3O11S/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)23-21(36)22-14-7-5-6-8-15(14)24(29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,23,36)