2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-methylthiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-methyl-5-thiazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-methyl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-methylthiazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC1=C(SC=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-9-13(21-8-16-9)14(18)17-7-11-5-3-2-4-10(11)6-12(17)15(19)20/h2-5,8,12H,6-7H2,1H3,(H,19,20)