propan-2-yl 4-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[3-cyano-4-(3-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[3-cyano-4-(3-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-3-keto-butyric acid isopropyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CN=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-14(2)28-20(27)10-16(26)13-29-22-18(11-23)21(15-6-5-9-24-12-15)17-7-3-4-8-19(17)25-22/h5-6,9,12,14H,3-4,7-8,10,13H2,1-2H3