(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C25H18N2O2S2 MolecularWeight: 442.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5SC4=S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C5=CC=CC=C5SC4=S

InChI

InChI=1S/C25H18N2O2S2/c1-16-10-12-17(13-11-16)21-14-19(18-6-2-3-7-20(18)26-21)24(28)29-15-27-22-8-4-5-9-23(22)31-25(27)30/h2-14H,15H2,1H3