2-[[(4S)-3-cyano-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[(4S)-3-cyano-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[(4S)-3-cyano-5-oxo-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[(4S)-3-cyano-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[(4S)-3-cyano-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[(4S)-3-cyano-5-keto-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]thio]acetamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C3C(=N2)CCCC3=O)C4=CC=CS4)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C([C@H](C3C(=N2)CCCC3=O)C4=CC=CS4)C#N

InChI

InChI=1S/C24H21N3O3S2/c1-14(28)15-7-9-16(10-8-15)26-21(30)13-32-24-17(12-25)22(20-6-3-11-31-20)23-18(27-24)4-2-5-19(23)29/h3,6-11,22-23H,2,4-5,13H2,1H3,(H,26,30)/t22-,23?/m0/s1