3-[5-(16-methoxy-15-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propanamide

Systemtic Name: 3-[5-(16-methoxy-15-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propanamide Openeye Name: 3-[5-(18-hydroxy-16-methoxy-15-methyl-13-oxo-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propanamide CAS Name: 3-[5-(18-hydroxy-16-methoxy-15-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propanamide IUPAC Name: 3-[5-(18-hydroxy-16-methoxy-15-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propanamide Traditional Name: 3-[5-(18-hydroxy-13-keto-16-methoxy-15-methyl-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-1,2,4-oxadiazol-3-yl]propionamide Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)OCCCCC(=S)NC(CSC2)C3=NC(=NO3)CCC(=O)N)O)OC

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)OCCCCC(=S)NC(CSC2)C3=NC(=NO3)CCC(=O)N)O)OC

InChI

InChI=1S/C22H28N4O6S2/c1-12-16(30-2)9-15(27)13-10-34-11-14(21-25-18(26-32-21)7-6-17(23)28)24-19(33)5-3-4-8-31-22(29)20(12)13/h9,14,27H,3-8,10-11H2,1-2H3,(H2,23,28)(H,24,33)