1-(2-thiophen-2-ylethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-thiophen-2-ylethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-[2-(2-thienyl)ethylamino]isoquinoline-3-carboxylic acid CAS Name: 1-(2-thiophen-2-ylethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-thiophen-2-ylethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-[2-(2-thienyl)ethylamino]isoquinoline-3-carboxylic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H14N2O2S/c19-16(20)14-10-11-4-1-2-6-13(11)15(18-14)17-8-7-12-5-3-9-21-12/h1-6,9-10H,7-8H2,(H,17,18)(H,19,20)