methyl (Z,8R)-8-[carbonazidoyl-(phenylmethyl)amino]-9-(phenylmethylsulfanyl)non-6-enoate

Systemtic Name: methyl (Z,8R)-8-[carbonazidoyl-(phenylmethyl)amino]-9-(phenylmethylsulfanyl)non-6-enoate Openeye Name: methyl (Z,8R)-8-[benzyl(carbonazidoyl)amino]-9-benzylsulfanyl-non-6-enoate CAS Name: (Z,8R)-8-[carbonazidoyl-(phenylmethyl)amino]-9-(phenylmethylthio)-6-nonenoic acid methyl ester IUPAC Name: methyl (Z,8R)-8-[benzyl(carbonazidoyl)amino]-9-benzylsulfanylnon-6-enoate Traditional Name: (Z,8R)-8-[benzyl(carbonazidoyl)amino]-9-(benzylthio)non-6-enoic acid methyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC=CC(CSCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)N=[N+]=[N-]

Isomeric SMILES

COC(=O)CCCC/C=C\[C@H](CSCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C25H30N4O3S/c1-32-24(30)17-11-3-2-10-16-23(20-33-19-22-14-8-5-9-15-22)29(25(31)27-28-26)18-21-12-6-4-7-13-21/h4-10,12-16,23H,2-3,11,17-20H2,1H3/b16-10-/t23-/m1/s1