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

Systemtic Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate Openeye Name: diethyl 2-[(5-carbamimidoylbenzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate CAS Name: 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]propanedioate Traditional Name: 2-[(5-amidinobenzothiophen-2-yl)methyl]-2-[4-(2-imidazolin-2-ylmethoxy)phenyl]malonic acid diethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30N4O5S/c1-3-34-25(32)27(26(33)35-4-2,15-21-14-18-13-17(24(28)29)5-10-22(18)37-21)19-6-8-20(9-7-19)36-16-23-30-11-12-31-23/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H3,28,29)(H,30,31)