1-[methyl(thiolan-3-yl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[methyl(thiolan-3-yl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[methyl(tetrahydrothiophen-3-yl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[methyl(3-thiolanyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[methyl(thiolan-3-yl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[methyl(tetrahydrothiophen-3-yl)amino]isoquinoline-3-carboxylic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(C1CCSC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c1-17(11-6-7-20-9-11)14-12-5-3-2-4-10(12)8-13(16-14)15(18)19/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)