ethyl 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid ethyl ester Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O2S/c1-2-25-18(24)12-26-20-16(11-22)19(13-7-9-14(21)10-8-13)15-5-3-4-6-17(15)23-20/h7-10H,2-6,12H2,1H3