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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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