2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-25-13-7-6-11-8-12(17(19)20-15(11)9-13)10-21-18(22)14-4-2-3-5-16(14)26(21,23)24/h2-9H,10H2,1H3