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

Systemtic Name: 7-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(4-methyl-2-quinolyl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-methyl-2-quinolinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(4-methyl-2-quinolyl)thio]methyl]coumarin Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C21H17NO2S/c1-13-7-8-17-15(11-21(23)24-19(17)9-13)12-25-20-10-14(2)16-5-3-4-6-18(16)22-20/h3-11H,12H2,1-2H3