2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetic acid CAS Name: 2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetic acid IUPAC Name: 2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C14H15N3O2S/c18-12(19)9-20-14-13(17-7-3-4-8-17)15-10-5-1-2-6-11(10)16-14/h1-2,5-6H,3-4,7-9H2,(H,18,19)