tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-2-yl]thio]acetic acid tert-butyl ester Formula: C20H23N2O2S2+ MolecularWeight: 387.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=[NH+]C2=C(CCCC2)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=[NH+]C2=C(CCCC2)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C20H22N2O2S2/c1-20(2,3)24-17(23)12-26-19-14(11-21)18(16-9-6-10-25-16)13-7-4-5-8-15(13)22-19/h6,9-10H,4-5,7-8,12H2,1-3H3/p+1