ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylate Openeye Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid ethyl ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC2=C1CCCC2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=NC2=C1CCCC2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C24H28N2O2S/c1-5-28-23(27)21-18-8-6-7-9-20(18)26-22(19(21)14-25)29-15-16-10-12-17(13-11-16)24(2,3)4/h10-13H,5-9,15H2,1-4H3