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

Systemtic Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]phenyl]propanedioate Openeye Name: diethyl 2-[(5-carbamimidoylbenzothiophen-2-yl)methyl]-2-[4-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]phenyl]propanedioate CAS Name: 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-[[1-(1-iminoethyl)-2-pyrrolidinyl]methoxy]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-carbamimidoyl-1-benzothiophen-2-yl)methyl]-2-[4-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]phenyl]propanedioate Traditional Name: 2-[4-[(1-acetimidoylpyrrolidin-2-yl)methoxy]phenyl]-2-[(5-amidinobenzothiophen-2-yl)methyl]malonic acid diethyl ester Formula: C30H36N4O5S MolecularWeight: 564.69564

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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)OCC4CCCN4C(=N)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)(C3=CC=C(C=C3)OCC4CCCN4C(=N)C)C(=O)OCC

InChI

InChI=1S/C30H36N4O5S/c1-4-37-28(35)30(29(36)38-5-2,17-25-16-21-15-20(27(32)33)8-13-26(21)40-25)22-9-11-24(12-10-22)39-18-23-7-6-14-34(23)19(3)31/h8-13,15-16,23,31H,4-7,14,17-18H2,1-3H3,(H3,32,33)