tert-butyl 2-(2-isoquinolin-7-ylsulfanylethylamino)ethanoate

Systemtic Name: tert-butyl 2-(2-isoquinolin-7-ylsulfanylethylamino)ethanoate Openeye Name: tert-butyl 2-[2-(7-isoquinolylsulfanyl)ethylamino]acetate CAS Name: 2-[2-(7-isoquinolinylthio)ethylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-isoquinolin-7-ylsulfanylethylamino)acetate Traditional Name: 2-[2-(7-isoquinolylthio)ethylamino]acetic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCCSC1=CC2=C(C=C1)C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)CNCCSC1=CC2=C(C=C1)C=CN=C2

InChI

InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)12-19-8-9-22-15-5-4-13-6-7-18-11-14(13)10-15/h4-7,10-11,19H,8-9,12H2,1-3H3