2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-3-methylidene-isoindol-1-one

Systemtic Name: 2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-3-methylidene-isoindol-1-one Openeye Name: 2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-3-methylene-isoindolin-1-one CAS Name: 2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-3-methylene-1-isoindolone IUPAC Name: 2-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-3-methylideneisoindol-1-one Traditional Name: 2-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-3-methylene-isoindolin-1-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O2S/c1-15-11-13-24(19-9-5-6-10-20(19)27-15)21(25)12-14-23-16(2)17-7-3-4-8-18(17)22(23)26/h3-10,15H,2,11-14H2,1H3