3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(6-fluorothiochroman-4-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-phthalimido-propionamide Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C=C(C=C2)F

InChI

InChI=1S/C20H17FN2O3S/c21-12-5-6-17-15(11-12)16(8-10-27-17)22-18(24)7-9-23-19(25)13-3-1-2-4-14(13)20(23)26/h1-6,11,16H,7-10H2,(H,22,24)