ethyl (1S,2R,3S,4R,5S)-4-carbonazidoyl-2-(4-methylphenyl)sulfanyl-5-nitro-3-pentan-3-yloxy-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2R,3S,4R,5S)-4-carbonazidoyl-2-(4-methylphenyl)sulfanyl-5-nitro-3-pentan-3-yloxy-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R,3S,4R,5S)-4-carbonazidoyl-3-(1-ethylpropoxy)-5-nitro-2-(p-tolylsulfanyl)cyclohexanecarboxylate CAS Name: (1S,2R,3S,4R,5S)-4-carbonazidoyl-2-[(4-methylphenyl)thio]-5-nitro-3-pentan-3-yloxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3S,4R,5S)-4-carbonazidoyl-2-(4-methylphenyl)sulfanyl-5-nitro-3-pentan-3-yloxycyclohexane-1-carboxylate Traditional Name: (1S,2R,3S,4R,5S)-4-carbonazidoyl-3-(1-ethylpropoxy)-5-nitro-2-(p-tolylthio)cyclohexanecarboxylic acid ethyl ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C(C(CC(C1SC2=CC=C(C=C2)C)C(=O)OCC)[N+](=O)[O-])C(=O)N=[N+]=[N-]

Isomeric SMILES

CCC(CC)O[C@H]1[C@@H]([C@H](C[C@H]([C@H]1SC2=CC=C(C=C2)C)C(=O)OCC)[N+](=O)[O-])C(=O)N=[N+]=[N-]

InChI

InChI=1S/C22H30N4O6S/c1-5-14(6-2)32-19-18(21(27)24-25-23)17(26(29)30)12-16(22(28)31-7-3)20(19)33-15-10-8-13(4)9-11-15/h8-11,14,16-20H,5-7,12H2,1-4H3/t16-,17+,18-,19+,20-/m1/s1