16-methoxy-4-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid

Systemtic Name: 16-methoxy-4-methyl-18-oxidanyl-13-oxidanylidene-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Openeye Name: 18-hydroxy-16-methoxy-4-methyl-13-oxo-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid CAS Name: 18-hydroxy-16-methoxy-4-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid IUPAC Name: 18-hydroxy-16-methoxy-4-methyl-13-oxo-7-sulfanylidene-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Traditional Name: 18-hydroxy-13-keto-16-methoxy-4-methyl-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=S)CCCCOC(=O)C2=CC(=CC(=C2CS1)O)OC)C(=O)O

Isomeric SMILES

CC1C(NC(=S)CCCCOC(=O)C2=CC(=CC(=C2CS1)O)OC)C(=O)O

InChI

InChI=1S/C18H23NO6S2/c1-10-16(17(21)22)19-15(26)5-3-4-6-25-18(23)12-7-11(24-2)8-14(20)13(12)9-27-10/h7-8,10,16,20H,3-6,9H2,1-2H3,(H,19,26)(H,21,22)