methyl 3-(3,4-dihydro-2H-thiochromen-4-yl)imidazole-4-carboxylate

Systemtic Name: methyl 3-(3,4-dihydro-2H-thiochromen-4-yl)imidazole-4-carboxylate Openeye Name: methyl 3-thiochroman-4-ylimidazole-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-thiochromen-4-yl)imidazole-4-carboxylate Traditional Name: 3-thiochroman-4-ylimidazole-4-carboxylic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CN1C2CCSC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CN=CN1C2CCSC3=CC=CC=C23

InChI

InChI=1S/C14H14N2O2S/c1-18-14(17)12-8-15-9-16(12)11-6-7-19-13-5-3-2-4-10(11)13/h2-5,8-9,11H,6-7H2,1H3