methyl (5R)-18-methoxy-17-methyl-20-oxidanyl-15-oxidanylidene-7-sulfanylidene-14-oxa-3-thia-6-azabicyclo[14.4.0]icosa-1(16),17,19-triene-5-carboxylate

Systemtic Name: methyl (5R)-18-methoxy-17-methyl-20-oxidanyl-15-oxidanylidene-7-sulfanylidene-14-oxa-3-thia-6-azabicyclo[14.4.0]icosa-1(16),17,19-triene-5-carboxylate Openeye Name: methyl (5R)-20-hydroxy-18-methoxy-17-methyl-15-oxo-7-thioxo-14-oxa-3-thia-6-azabicyclo[14.4.0]icosa-1(16),17,19-triene-5-carboxylate CAS Name: (5R)-20-hydroxy-18-methoxy-17-methyl-15-oxo-7-sulfanylidene-14-oxa-3-thia-6-azabicyclo[14.4.0]eicosa-1(16),17,19-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-20-hydroxy-18-methoxy-17-methyl-15-oxo-7-sulfanylidene-14-oxa-3-thia-6-azabicyclo[14.4.0]icosa-1(16),17,19-triene-5-carboxylate Traditional Name: (5R)-20-hydroxy-15-keto-18-methoxy-17-methyl-7-thioxo-14-oxa-3-thia-6-azabicyclo[14.4.0]eicosa-1(16),17,19-triene-5-carboxylic acid methyl ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S2/c1-13-17(26-2)10-16(23)14-11-30-12-15(20(24)27-3)22-18(29)8-6-4-5-7-9-28-21(25)19(13)14/h10,15,23H,4-9,11-12H2,1-3H3,(H,22,29)/t15-/m0/s1