ethyl 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoate dihydrochloride

Systemtic Name: ethyl 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoate dihydrochloride Openeye Name: ethyl 4-(5-carbamimidoylbenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoate dihydrochloride CAS Name: 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-[4-(3-pyrrolidinyloxy)phenyl]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butanoate dihydrochloride Traditional Name: 4-(5-amidinobenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)butyric acid ethyl ester dihydrochloride Formula: C25H31Cl2N3O3S MolecularWeight: 524.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4.Cl.Cl

Isomeric SMILES

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4.Cl.Cl

InChI

InChI=1S/C25H29N3O3S.2ClH/c1-2-30-24(29)14-18(16-3-6-20(7-4-16)31-21-9-10-28-15-21)12-22-13-19-11-17(25(26)27)5-8-23(19)32-22;;/h3-8,11,13,18,21,28H,2,9-10,12,14-15H2,1H3,(H3,26,27);2*1H