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

Systemtic Name: 7-methoxy-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-methyl-2-quinolyl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(4-methyl-2-quinolinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methylquinolin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(4-methyl-2-quinolyl)thio]methyl]coumarin Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H17NO3S/c1-13-9-20(22-18-6-4-3-5-16(13)18)26-12-14-10-21(23)25-19-11-15(24-2)7-8-17(14)19/h3-11H,12H2,1-2H3