1-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-4-oxaspiro[4.5]dec-1-ene-3,10-dione

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-4-oxaspiro[4.5]dec-1-ene-3,10-dione Openeye Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-4-oxaspiro[4.5]dec-1-ene-3,10-dione CAS Name: 1-(1,3-benzothiazol-2-ylthio)-2-hydroxy-4-oxaspiro[4.5]dec-1-ene-3,10-dione IUPAC Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-4-oxaspiro[4.5]dec-1-ene-3,10-dione Traditional Name: 1-(1,3-benzothiazol-2-ylthio)-2-hydroxy-4-oxaspiro[4.5]dec-1-ene-3,10-quinone Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=O)C1)C(=C(C(=O)O2)O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC2(C(=O)C1)C(=C(C(=O)O2)O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H13NO4S2/c18-11-7-3-4-8-16(11)13(12(19)14(20)21-16)23-15-17-9-5-1-2-6-10(9)22-15/h1-2,5-6,19H,3-4,7-8H2