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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(CCCC2)N=C1CSC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(CCCC2)N=C1CSC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

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