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

Systemtic Name: 4-cyano-4-(3,4-dihydroisoquinolin-1-yl)-4-sulfanyl-butanoic acid Openeye Name: 4-cyano-4-(3,4-dihydroisoquinolin-1-yl)-4-sulfanyl-butanoic acid CAS Name: 4-cyano-4-(3,4-dihydroisoquinolin-1-yl)-4-mercaptobutanoic acid IUPAC Name: 4-cyano-4-(3,4-dihydroisoquinolin-1-yl)-4-sulfanylbutanoic acid Traditional Name: 4-cyano-4-(3,4-dihydroisoquinolin-1-yl)-4-mercapto-butyric acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c15-9-14(19,7-5-12(17)18)13-11-4-2-1-3-10(11)6-8-16-13/h1-4,19H,5-8H2,(H,17,18)