methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S2/c1-14-12-27-22(23-14)28-13-18-20(21(25)26-2)19(15-8-4-3-5-9-15)16-10-6-7-11-17(16)24-18/h3-12H,13H2,1-2H3