methyl 4-methyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)OC

InChI

InChI=1S/C20H16N2O5S/c1-12-13-7-3-5-9-15(13)21-16(18(12)20(24)27-2)11-22-19(23)14-8-4-6-10-17(14)28(22,25)26/h3-10H,11H2,1-2H3