O-propyl N-[[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methyl]carbamothioate

Systemtic Name: O-propyl N-[[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methyl]carbamothioate Openeye Name: O-propyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]methyl]carbamothioate CAS Name: N-[[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]methyl]carbamothioic acid O-propyl ester IUPAC Name: O-propyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate Traditional Name: N-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]thiocarbamic acid O-propyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=S)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)O)O)O

Isomeric SMILES

CCCOC(=S)NCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O

InChI

InChI=1S/C17H25NO6S/c1-3-8-22-17(25)18-9-11-4-6-12(7-5-11)24-16-15(21)14(20)13(19)10(2)23-16/h4-7,10,13-16,19-21H,3,8-9H2,1-2H3,(H,18,25)/t10-,13-,14+,15+,16-/m0/s1