16-methoxy-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-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-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-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-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-7-thioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CSCC(NC(=S)CCCCOC(=O)C2=C1)C(=O)O)O

Isomeric SMILES

COC1=CC(=C2CSCC(NC(=S)CCCCOC(=O)C2=C1)C(=O)O)O

InChI

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