2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-trimethoxy-indan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4,5,6-trimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-4,5,6-trimethoxy-indan-1-one Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=CC=CC=C4S3)OC)OC

Isomeric SMILES

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=CC=CC=C4S3)OC)OC

InChI

InChI=1S/C19H17NO4S2/c1-22-13-8-10-11(17(23-2)18(13)24-3)9-15(16(10)21)26-19-20-12-6-4-5-7-14(12)25-19/h4-8,15H,9H2,1-3H3