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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O2S/c19-12-7-5-11(6-8-12)17-13-3-1-2-4-15(13)21-18(14(17)9-20)24-10-16(22)23/h5-8H,1-4,10H2,(H,22,23)