1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]isoquinoline-3-carboxylic acid Openeye Name: 1-(4-methylthiazol-2-yl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(4-methyl-2-thiazolyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]isoquinoline-3-carboxylic acid Traditional Name: 1-[(4-methylthiazol-2-yl)thio]isoquinoline-3-carboxylic acid Formula: C14H10N2O2S2 MolecularWeight: 302.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H10N2O2S2/c1-8-7-19-14(15-8)20-12-10-5-3-2-4-9(10)6-11(16-12)13(17)18/h2-7H,1H3,(H,17,18)