tert-butyl 2-[2-(isoquinolin-7-ylmethylsulfanyl)ethylamino]ethanoate

Systemtic Name: tert-butyl 2-[2-(isoquinolin-7-ylmethylsulfanyl)ethylamino]ethanoate Openeye Name: tert-butyl 2-[2-(7-isoquinolylmethylsulfanyl)ethylamino]acetate CAS Name: 2-[2-(7-isoquinolinylmethylthio)ethylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(isoquinolin-7-ylmethylsulfanyl)ethylamino]acetate Traditional Name: 2-[2-(7-isoquinolylmethylthio)ethylamino]acetic acid tert-butyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCCSCC1=CC2=C(C=C1)C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)CNCCSCC1=CC2=C(C=C1)C=CN=C2

InChI

InChI=1S/C18H24N2O2S/c1-18(2,3)22-17(21)12-20-8-9-23-13-14-4-5-15-6-7-19-11-16(15)10-14/h4-7,10-11,20H,8-9,12-13H2,1-3H3