methyl (5R)-17-methoxy-16-methyl-19-oxidanyl-14-oxidanylidene-7-sulfanylidene-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylate

Systemtic Name: methyl (5R)-17-methoxy-16-methyl-19-oxidanyl-14-oxidanylidene-7-sulfanylidene-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylate Openeye Name: methyl (5R)-19-hydroxy-17-methoxy-16-methyl-14-oxo-7-thioxo-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylate CAS Name: (5R)-19-hydroxy-17-methoxy-16-methyl-14-oxo-7-sulfanylidene-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-19-hydroxy-17-methoxy-16-methyl-14-oxo-7-sulfanylidene-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylate Traditional Name: (5R)-19-hydroxy-14-keto-17-methoxy-16-methyl-7-thioxo-13-oxa-3-thia-6-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-5-carboxylic acid methyl ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-12-16(25-2)9-15(22)13-10-29-11-14(19(23)26-3)21-17(28)7-5-4-6-8-27-20(24)18(12)13/h9,14,22H,4-8,10-11H2,1-3H3,(H,21,28)/t14-/m0/s1