1-(1,3-thiazol-2-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(1,3-thiazol-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(thiazol-2-ylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-thiazolylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(1,3-thiazol-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(thiazol-2-ylamino)isoquinoline-3-carboxylic acid Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NC3=NC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C13H9N3O2S/c17-12(18)10-7-8-3-1-2-4-9(8)11(15-10)16-13-14-5-6-19-13/h1-7H,(H,17,18)(H,14,15,16)