methyl (5R)-16-methoxy-15-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylate

Systemtic Name: methyl (5R)-16-methoxy-15-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylate Openeye Name: methyl (5R)-18-hydroxy-16-methoxy-15-methyl-13-oxo-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylate CAS Name: (5R)-18-hydroxy-16-methoxy-15-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-18-hydroxy-16-methoxy-15-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylate Traditional Name: (5R)-18-hydroxy-13-keto-16-methoxy-15-methyl-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid methyl ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S2/c1-11-15(24-2)8-14(21)12-9-28-10-13(18(22)25-3)20-16(27)6-4-5-7-26-19(23)17(11)12/h8,13,21H,4-7,9-10H2,1-3H3,(H,20,27)/t13-/m0/s1