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

Systemtic Name: 3-(imidazol-1-ylmethyl)-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 3-(imidazol-1-ylmethyl)thiochromane-6-carboxylic acid CAS Name: 3-(1-imidazolylmethyl)-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 3-(imidazol-1-ylmethyl)-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 3-(imidazol-1-ylmethyl)thiochroman-6-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c17-14(18)11-1-2-13-12(6-11)5-10(8-19-13)7-16-4-3-15-9-16/h1-4,6,9-10H,5,7-8H2,(H,17,18)