dimethyl (E,2S,6S)-6-oxidanyl-2-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-hept-3-enedioate

Systemtic Name: dimethyl (E,2S,6S)-6-oxidanyl-2-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-hept-3-enedioate Openeye Name: dimethyl (E,2S,6S)-2-(benzyloxycarbonylamino)-6-hydroxy-4-phenylsulfanyl-hept-3-enedioate CAS Name: (E,2S,6S)-6-hydroxy-2-(phenylmethoxycarbonylamino)-4-(phenylthio)-3-heptenedioic acid dimethyl ester IUPAC Name: dimethyl (E,2S,6S)-6-hydroxy-2-(phenylmethoxycarbonylamino)-4-phenylsulfanylhept-3-enedioate Traditional Name: (E,2S,6S)-2-(benzyloxycarbonylamino)-6-hydroxy-4-(phenylthio)hept-3-enedioic acid dimethyl ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)SC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)[C@H](C/C(=C\[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)/SC2=CC=CC=C2)O

InChI

InChI=1S/C23H25NO7S/c1-29-21(26)19(24-23(28)31-15-16-9-5-3-6-10-16)13-18(14-20(25)22(27)30-2)32-17-11-7-4-8-12-17/h3-13,19-20,25H,14-15H2,1-2H3,(H,24,28)/b18-13+/t19-,20-/m0/s1