3-(imidazol-1-ylmethyl)-4-methyl-2H-thiochromene-6-carboxylic acid

Systemtic Name: 3-(imidazol-1-ylmethyl)-4-methyl-2H-thiochromene-6-carboxylic acid Openeye Name: 3-(imidazol-1-ylmethyl)-4-methyl-2H-thiochromene-6-carboxylic acid CAS Name: 3-(1-imidazolylmethyl)-4-methyl-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 3-(imidazol-1-ylmethyl)-4-methyl-2H-thiochromene-6-carboxylic acid Traditional Name: 3-(imidazol-1-ylmethyl)-4-methyl-2H-thiochromene-6-carboxylic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CSC2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(CSC2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C15H14N2O2S/c1-10-12(7-17-5-4-16-9-17)8-20-14-3-2-11(15(18)19)6-13(10)14/h2-6,9H,7-8H2,1H3,(H,18,19)