2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-methylquinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H16N2O5S/c1-13-12-16(14-6-2-4-8-17(14)21-13)20(24)27-11-10-22-19(23)15-7-3-5-9-18(15)28(22,25)26/h2-9,12H,10-11H2,1H3