ethyl 3-(imidazol-1-ylmethyl)-2H-thiochromene-6-carboxylate

Systemtic Name: ethyl 3-(imidazol-1-ylmethyl)-2H-thiochromene-6-carboxylate Openeye Name: ethyl 3-(imidazol-1-ylmethyl)-2H-thiochromene-6-carboxylate CAS Name: 3-(1-imidazolylmethyl)-2H-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(imidazol-1-ylmethyl)-2H-thiochromene-6-carboxylate Traditional Name: 3-(imidazol-1-ylmethyl)-2H-thiochromene-6-carboxylic acid ethyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SCC(=C2)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SCC(=C2)CN3C=CN=C3

InChI

InChI=1S/C16H16N2O2S/c1-2-20-16(19)13-3-4-15-14(8-13)7-12(10-21-15)9-18-6-5-17-11-18/h3-8,11H,2,9-10H2,1H3