7,8-dimethyl-4-(quinolin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(quinolin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(2-quinolylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[(2-quinolinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(quinolin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-[(2-quinolylthio)methyl]coumarin Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C=C3)C

InChI

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