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

Systemtic Name: ethyl 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Openeye Name: ethyl 2-(5-carbamimidoylbenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride CAS Name: 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate dihydrochloride Traditional Name: 2-(5-amidinobenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propionic acid ethyl ester dihydrochloride Formula: C24H29Cl2N3O3S MolecularWeight: 510.47636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC2CCNC2)C3=CC4=C(S3)C=CC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC2CCNC2)C3=CC4=C(S3)C=CC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C24H27N3O3S.2ClH/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19;;/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26);2*1H