methyl (5R)-20-methoxy-19-methyl-22-oxidanyl-17-oxidanylidene-7-sulfanylidene-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylate

Systemtic Name: methyl (5R)-20-methoxy-19-methyl-22-oxidanyl-17-oxidanylidene-7-sulfanylidene-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylate Openeye Name: methyl (5R)-22-hydroxy-20-methoxy-19-methyl-17-oxo-7-thioxo-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylate CAS Name: (5R)-22-hydroxy-20-methoxy-19-methyl-17-oxo-7-sulfanylidene-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-22-hydroxy-20-methoxy-19-methyl-17-oxo-7-sulfanylidene-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylate Traditional Name: (5R)-22-hydroxy-17-keto-20-methoxy-19-methyl-7-thioxo-16-oxa-3-thia-6-azabicyclo[16.4.0]docosa-1(18),19,21-triene-5-carboxylic acid methyl ester Formula: C23H33NO6S2 MolecularWeight: 483.64122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)OCCCCCCCCC(=S)NC(CSC2)C(=O)OC)O)OC

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)OCCCCCCCCC(=S)N[C@@H](CSC2)C(=O)OC)O)OC

InChI

InChI=1S/C23H33NO6S2/c1-15-19(28-2)12-18(25)16-13-32-14-17(22(26)29-3)24-20(31)10-8-6-4-5-7-9-11-30-23(27)21(15)16/h12,17,25H,4-11,13-14H2,1-3H3,(H,24,31)/t17-/m0/s1