6-chloranyl-7-ethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[(4-methyl-2-quinolyl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(4-methyl-2-quinolinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(4-methyl-2-quinolyl)thio]methyl]coumarin Formula: C22H18ClNO2S MolecularWeight: 395.90182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=C3)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=C3)C)Cl

InChI

InChI=1S/C22H18ClNO2S/c1-3-14-9-20-17(11-18(14)23)15(10-22(25)26-20)12-27-21-8-13(2)16-6-4-5-7-19(16)24-21/h4-11H,3,12H2,1-2H3