ethyl 4-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[7-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[[7-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(CCC(C2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(CCC(C2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C24H28N2O3S2/c1-5-29-21(28)12-16(27)14-31-23-18(13-25)22(20-7-6-10-30-20)17-9-8-15(24(2,3)4)11-19(17)26-23/h6-7,10,15H,5,8-9,11-12,14H2,1-4H3