3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)isothiochromen-1-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)isothiochromen-1-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isothiochromen-1-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-benzothiopyran-1-one IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isothiochromen-1-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isothiochromen-1-one Formula: C19H15NO2S MolecularWeight: 321.3929

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C19H15NO2S/c21-18(20-10-9-13-5-1-2-7-15(13)12-20)17-11-14-6-3-4-8-16(14)19(22)23-17/h1-8,11H,9-10,12H2