2-(3-sulfanylidene-1,2-dihydrobenzo[de]isoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(3-sulfanylidene-1,2-dihydrobenzo[de]isoquinolin-1-yl)ethanoic acid Openeye Name: 2-(3-thioxo-1,2-dihydrobenzo[de]isoquinolin-1-yl)acetic acid CAS Name: 2-(3-sulfanylidene-1,2-dihydrobenzo[de]isoquinolin-1-yl)acetic acid IUPAC Name: 2-(3-sulfanylidene-1,2-dihydrobenzo[de]isoquinolin-1-yl)acetic acid Traditional Name: 2-(3-thioxo-1,2-dihydrobenzo[de]isoquinolin-1-yl)acetic acid Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(NC(=S)C3=CC=C2)CC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C(NC(=S)C3=CC=C2)CC(=O)O

InChI

InChI=1S/C14H11NO2S/c16-12(17)7-11-9-5-1-3-8-4-2-6-10(13(8)9)14(18)15-11/h1-6,11H,7H2,(H,15,18)(H,16,17)