2-[(3-isoquinolin-5-yloxy-2-oxidanylidene-propyl)sulfanylamino]propanoic acid

Systemtic Name: 2-[(3-isoquinolin-5-yloxy-2-oxidanylidene-propyl)sulfanylamino]propanoic acid Openeye Name: 2-[[3-(5-isoquinolyloxy)-2-oxo-propyl]sulfanylamino]propanoic acid CAS Name: 2-[[[3-(5-isoquinolinyloxy)-2-oxopropyl]thio]amino]propanoic acid IUPAC Name: 2-[(3-isoquinolin-5-yloxy-2-oxopropyl)sulfanylamino]propanoic acid Traditional Name: 2-[[[3-(5-isoquinolyloxy)-2-keto-propyl]thio]amino]propionic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NSCC(=O)COC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CC(C(=O)O)NSCC(=O)COC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C15H16N2O4S/c1-10(15(19)20)17-22-9-12(18)8-21-14-4-2-3-11-7-16-6-5-13(11)14/h2-7,10,17H,8-9H2,1H3,(H,19,20)