methyl (5R)-14-methoxy-13-methyl-16-oxidanyl-11-oxidanylidene-7-sulfanylidene-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylate

Systemtic Name: methyl (5R)-14-methoxy-13-methyl-16-oxidanyl-11-oxidanylidene-7-sulfanylidene-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylate Openeye Name: methyl (5R)-16-hydroxy-14-methoxy-13-methyl-11-oxo-7-thioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylate CAS Name: (5R)-16-hydroxy-14-methoxy-13-methyl-11-oxo-7-sulfanylidene-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-16-hydroxy-14-methoxy-13-methyl-11-oxo-7-sulfanylidene-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylate Traditional Name: (5R)-16-hydroxy-11-keto-14-methoxy-13-methyl-7-thioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylic acid methyl ester Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6S2/c1-9-13(22-2)6-12(19)10-7-26-8-11(16(20)23-3)18-14(25)4-5-24-17(21)15(9)10/h6,11,19H,4-5,7-8H2,1-3H3,(H,18,25)/t11-/m0/s1