methyl (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]ethanoate Openeye Name: methyl (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-benzothiophen-6-ylidene]acetate CAS Name: (2E)-2-[2-(1-imidazolylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]acetate Traditional Name: (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-benzothiophen-6-ylidene]acetic acid methyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CCC2=C(C1)SC(=C2)CN3C=CN=C3

Isomeric SMILES

COC(=O)/C=C/1\CCC2=C(C1)SC(=C2)CN3C=CN=C3

InChI

InChI=1S/C15H16N2O2S/c1-19-15(18)7-11-2-3-12-8-13(20-14(12)6-11)9-17-5-4-16-10-17/h4-5,7-8,10H,2-3,6,9H2,1H3/b11-7+