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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5,6-dimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5,6-dimethoxy-indan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylthio)-5,6-dimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5,6-dimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-5,6-dimethoxy-indan-1-one Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C18H15NO3S2/c1-21-13-7-10-8-16(17(20)11(10)9-14(13)22-2)24-18-19-12-5-3-4-6-15(12)23-18/h3-7,9,16H,8H2,1-2H3