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

Systemtic Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-methyl-2-[[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-keto-2-[[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]thio]-4-methyl-1H-pyridine-3-carbonitrile Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=C(C(=CC(=O)N3)C)C#N

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=C(C(=CC(=O)N3)C)C#N

InChI

InChI=1S/C19H19N3O2S2/c1-12-9-17(23)21-19(14(12)10-20)25-11-18(24)22-8-7-13(2)26-16-6-4-3-5-15(16)22/h3-6,9,13H,7-8,11H2,1-2H3,(H,21,23)