diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanedioate

Systemtic Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanedioate Openeye Name: diethyl 2-[(5-carbamimidoylbenzothiophen-2-yl)methyl]-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanedioate CAS Name: 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(2-pyrrolidinylmethoxy)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]propanedioate Traditional Name: 2-[(5-amidinobenzothiophen-2-yl)methyl]-2-[4-(pyrrolidin-2-ylmethoxy)phenyl]malonic acid diethyl ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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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)OCC4CCCN4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)(C3=CC=C(C=C3)OCC4CCCN4)C(=O)OCC

InChI

InChI=1S/C28H33N3O5S/c1-3-34-26(32)28(27(33)35-4-2,16-23-15-19-14-18(25(29)30)7-12-24(19)37-23)20-8-10-22(11-9-20)36-17-21-6-5-13-31-21/h7-12,14-15,21,31H,3-6,13,16-17H2,1-2H3,(H3,29,30)