4,6-dimethyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=C(NC(=O)C(=C3C)C#N)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=C(NC(=O)C(=C3C)C#N)C

InChI

InChI=1S/C21H23N3O2S/c1-13-10-11-24(18-6-4-5-7-19(18)27-13)20(25)9-8-16-14(2)17(12-22)21(26)23-15(16)3/h4-7,13H,8-11H2,1-3H3,(H,23,26)