2,2-dimethyl-N-[2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)methylsulfanyl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)methylsulfanyl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[2-[(1-oxoisochroman-3-yl)methylsulfanyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methylthio]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[2-[(1-oxo-3,4-dihydroisochromen-3-yl)methylsulfanyl]phenyl]propanamide Traditional Name: N-[2-[(1-ketoisochroman-3-yl)methylthio]phenyl]-2,2-dimethyl-propionamide Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H23NO3S/c1-21(2,3)20(24)22-17-10-6-7-11-18(17)26-13-15-12-14-8-4-5-9-16(14)19(23)25-15/h4-11,15H,12-13H2,1-3H3,(H,22,24)