diethyl 2-[(5-cyano-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate

Systemtic Name: diethyl 2-[(5-cyano-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate Openeye Name: diethyl 2-[(5-cyanobenzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate CAS Name: 2-[(5-cyano-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-cyano-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate Traditional Name: 2-[(5-cyanobenzothiophen-2-yl)methyl]-2-[4-(2-imidazolin-2-ylmethoxy)phenyl]malonic acid diethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)(C3=CC=C(C=C3)OCC4=NCCN4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)(C3=CC=C(C=C3)OCC4=NCCN4)C(=O)OCC

InChI

InChI=1S/C27H27N3O5S/c1-3-33-25(31)27(26(32)34-4-2,15-22-14-19-13-18(16-28)5-10-23(19)36-22)20-6-8-21(9-7-20)35-17-24-29-11-12-30-24/h5-10,13-14H,3-4,11-12,15,17H2,1-2H3,(H,29,30)