2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-isoquinolin-1-yl-amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-isoquinolin-1-yl-amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(1-isoquinolyl)amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(1-isoquinolinyl)amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-isoquinolin-1-ylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(1-isoquinolyl)amino]acetic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=NC=CC2=CC=CC=C21

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C17H18N2O4S/c1-11(10-24-12(2)20)17(23)19(9-15(21)22)16-14-6-4-3-5-13(14)7-8-18-16/h3-8,11H,9-10H2,1-2H3,(H,21,22)