imidazo[1,2-a]pyridin-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C18H18N2O2S/c1-12-5-6-15-13(8-12)9-16(23-15)18(21)22-11-14-10-20-7-3-2-4-17(20)19-14/h2-4,7,9-10,12H,5-6,8,11H2,1H3/t12-/m0/s1