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

Systemtic Name: 10-(hydroxymethyl)-16-methoxy-15-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-18-oxidanyl-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one Openeye Name: 18-hydroxy-10-(hydroxymethyl)-16-methoxy-15-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one CAS Name: 18-hydroxy-10-(hydroxymethyl)-16-methoxy-15-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one IUPAC Name: 18-hydroxy-10-(hydroxymethyl)-16-methoxy-15-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one Traditional Name: 18-hydroxy-16-methoxy-15-methyl-10-methylol-5-(3-methyl-1,2,4-oxadiazol-5-yl)-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)OCC(CCC(=S)NC(CSC2)C3=NC(=NO3)C)CO)O)OC

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)OCC(CCC(=S)NC(CSC2)C3=NC(=NO3)C)CO)O)OC

InChI

InChI=1S/C21H27N3O6S2/c1-11-17(28-3)6-16(26)14-9-32-10-15(20-22-12(2)24-30-20)23-18(31)5-4-13(7-25)8-29-21(27)19(11)14/h6,13,15,25-26H,4-5,7-10H2,1-3H3,(H,23,31)