2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)propanoic acid

Systemtic Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)propanoic acid Openeye Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)propanoic acid CAS Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylthio)propanoic acid IUPAC Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylsulfanyl)propanoic acid Traditional Name: 2-(5,6-dihydrobenzo[h]quinazolin-4-ylthio)propionic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=NC2=C1CCC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)O)SC1=NC=NC2=C1CCC3=CC=CC=C32

InChI

InChI=1S/C15H14N2O2S/c1-9(15(18)19)20-14-12-7-6-10-4-2-3-5-11(10)13(12)16-8-17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)