3-(1,2-dihydropyridin-2-ylsulfanyl)propanoic acid

Systemtic Name: 3-(1,2-dihydropyridin-2-ylsulfanyl)propanoic acid Openeye Name: 3-(1,2-dihydropyridin-2-ylsulfanyl)propanoic acid CAS Name: 3-(1,2-dihydropyridin-2-ylthio)propanoic acid IUPAC Name: 3-(1,2-dihydropyridin-2-ylsulfanyl)propanoic acid Traditional Name: 3-(1,2-dihydropyridin-2-ylthio)propionic acid Formula: C8H11NO2S MolecularWeight: 185.24344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(NC=C1)SCCC(=O)O

Isomeric SMILES

C1=CC(NC=C1)SCCC(=O)O

InChI

InChI=1S/C8H11NO2S/c10-8(11)4-6-12-7-3-1-2-5-9-7/h1-3,5,7,9H,4,6H2,(H,10,11)