[(2R,3R,4S,5R,6S)-4-(diethanoylamino)-6-ethylsulfanyl-2-methyl-5-phenylmethoxy-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4-(diethanoylamino)-6-ethylsulfanyl-2-methyl-5-phenylmethoxy-oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-5-benzyloxy-4-(diacetylamino)-6-ethylsulfanyl-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-4-(diacetylamino)-6-(ethylthio)-2-methyl-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4-(diacetylamino)-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-5-benzoxy-4-(diacetylamino)-6-(ethylthio)-2-methyl-tetrahydropyran-3-yl] ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)OC(=O)C)N(C(=O)C)C(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)C)N(C(=O)C)C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO6S/c1-6-29-21-20(26-12-17-10-8-7-9-11-17)18(22(14(3)23)15(4)24)19(13(2)27-21)28-16(5)25/h7-11,13,18-21H,6,12H2,1-5H3/t13-,18+,19+,20-,21+/m1/s1