3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid

Systemtic Name: 3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid Openeye Name: 3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid CAS Name: 3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-mercaptopropanoic acid IUPAC Name: 3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-sulfanylpropanoic acid Traditional Name: 3-cyano-3-(3,4-dihydroisoquinolin-1-yl)-3-mercapto-propionic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C(CC(=O)O)(C#N)S

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C(CC(=O)O)(C#N)S

InChI

InChI=1S/C13H12N2O2S/c14-8-13(18,7-11(16)17)12-10-4-2-1-3-9(10)5-6-15-12/h1-4,18H,5-7H2,(H,16,17)