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

Systemtic Name: 7-ethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-methyl-2-quinolyl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(4-methyl-2-quinolinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(4-methyl-2-quinolyl)thio]methyl]coumarin Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C22H19NO2S/c1-3-15-8-9-18-16(12-22(24)25-20(18)11-15)13-26-21-10-14(2)17-6-4-5-7-19(17)23-21/h4-12H,3,13H2,1-2H3