(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C21H16ClNO3S/c1-12-16-5-3-4-6-18(16)26-19(12)21(24)25-11-14-9-13-7-8-15(27-2)10-17(13)23-20(14)22/h3-10H,11H2,1-2H3