methyl (5R)-15-methoxy-14-methyl-17-oxidanyl-12-oxidanylidene-7-sulfanylidene-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylate

Systemtic Name: methyl (5R)-15-methoxy-14-methyl-17-oxidanyl-12-oxidanylidene-7-sulfanylidene-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylate Openeye Name: methyl (5R)-17-hydroxy-15-methoxy-14-methyl-12-oxo-7-thioxo-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylate CAS Name: (5R)-17-hydroxy-15-methoxy-14-methyl-12-oxo-7-sulfanylidene-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-17-hydroxy-15-methoxy-14-methyl-12-oxo-7-sulfanylidene-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylate Traditional Name: (5R)-17-hydroxy-12-keto-15-methoxy-14-methyl-7-thioxo-11-oxa-3-thia-6-azabicyclo[11.4.0]heptadeca-1(13),14,16-triene-5-carboxylic acid methyl ester Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S2/c1-10-14(23-2)7-13(20)11-8-27-9-12(17(21)24-3)19-15(26)5-4-6-25-18(22)16(10)11/h7,12,20H,4-6,8-9H2,1-3H3,(H,19,26)/t12-/m0/s1