(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-morpholinosulfonylthiophene-2-carboxylate CAS Name: 3-(4-morpholinylsulfonyl)-2-thiophenecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-morpholinosulfonylthiophene-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H19ClN2O5S3 MolecularWeight: 499.02326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H19ClN2O5S3/c1-29-15-3-2-13-10-14(19(21)22-16(13)11-15)12-28-20(24)18-17(4-9-30-18)31(25,26)23-5-7-27-8-6-23/h2-4,9-11H,5-8,12H2,1H3