5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-oxo-2-[(4S)-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-[(4S)-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thio]-6-methyl-nicotinonitrile Formula: C22H19N3O2S3 MolecularWeight: 453.60016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2CCC3=C([C@H]2C4=CC=CS4)C=CS3)C#N)C(=O)C

InChI

InChI=1S/C22H19N3O2S3/c1-13-17(14(2)26)10-15(11-23)22(24-13)30-12-20(27)25-7-5-18-16(6-9-29-18)21(25)19-4-3-8-28-19/h3-4,6,8-10,21H,5,7,12H2,1-2H3/t21-/m0/s1