ethyl 2-(5-methoxyisoquinolin-1-yl)sulfanyl-2-methyl-propanoate

Systemtic Name: ethyl 2-(5-methoxyisoquinolin-1-yl)sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[(5-methoxy-1-isoquinolyl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(5-methoxy-1-isoquinolinyl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(5-methoxyisoquinolin-1-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(5-methoxy-1-isoquinolyl)thio]-2-methyl-propionic acid ethyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC=CC2=C1C=CC=C2OC

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC=CC2=C1C=CC=C2OC

InChI

InChI=1S/C16H19NO3S/c1-5-20-15(18)16(2,3)21-14-12-7-6-8-13(19-4)11(12)9-10-17-14/h6-10H,5H2,1-4H3