8-ethanoylsulfanyl-9-oxidanylidene-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid

Systemtic Name: 8-ethanoylsulfanyl-9-oxidanylidene-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid Openeye Name: 8-acetylsulfanyl-9-oxo-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid CAS Name: 8-(acetylthio)-9-oxo-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid IUPAC Name: 8-acetylsulfanyl-9-oxo-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid Traditional Name: 8-(acetylthio)-9-keto-10-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-11-carboxylic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCCCCCC2=CC=CC=C2CC(NC1=O)C(=O)O

Isomeric SMILES

CC(=O)SC1CCCCCCC2=CC=CC=C2CC(NC1=O)C(=O)O

InChI

InChI=1S/C19H25NO4S/c1-13(21)25-17-11-5-3-2-4-8-14-9-6-7-10-15(14)12-16(19(23)24)20-18(17)22/h6-7,9-10,16-17H,2-5,8,11-12H2,1H3,(H,20,22)(H,23,24)