[(2S,3R,4S,5S,6S)-3-acetyloxy-5-azanyl-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate

Systemtic Name: [(2S,3R,4S,5S,6S)-3-acetyloxy-5-azanyl-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2S,3S,4S,5R,6S)-5-acetoxy-3-amino-2-(benzyloxymethyl)-6-(p-tolylsulfanyl)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4S,5S,6S)-3-acetyloxy-5-amino-2-[(4-methylphenyl)thio]-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6S)-3-acetyloxy-5-amino-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6S)-5-acetoxy-3-amino-2-(benzoxymethyl)-6-(p-tolylthio)tetrahydropyran-4-yl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C24H29NO6S/c1-15-9-11-19(12-10-15)32-24-23(30-17(3)27)22(29-16(2)26)21(25)20(31-24)14-28-13-18-7-5-4-6-8-18/h4-12,20-24H,13-14,25H2,1-3H3/t20-,21+,22+,23-,24+/m1/s1