ethyl 4-[(2-methoxyphenyl)amino]-8-methylsulfanyl-quinoline-3-carboxylate hydrochloride

Systemtic Name: ethyl 4-[(2-methoxyphenyl)amino]-8-methylsulfanyl-quinoline-3-carboxylate hydrochloride Openeye Name: ethyl 4-(2-methoxyanilino)-8-methylsulfanyl-quinoline-3-carboxylate hydrochloride CAS Name: 4-(2-methoxyanilino)-8-(methylthio)-3-quinolinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(2-methoxyanilino)-8-methylsulfanylquinoline-3-carboxylate hydrochloride Traditional Name: 8-(methylthio)-4-(o-anisidino)quinoline-3-carboxylic acid ethyl ester hydrochloride Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3OC)C=CC=C2SC.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3OC)C=CC=C2SC.Cl

InChI

InChI=1S/C20H20N2O3S.ClH/c1-4-25-20(23)14-12-21-19-13(8-7-11-17(19)26-3)18(14)22-15-9-5-6-10-16(15)24-2;/h5-12H,4H2,1-3H3,(H,21,22);1H