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

Systemtic Name: ethyl 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate Openeye Name: ethyl 2-(5-carbamimidoylbenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate CAS Name: 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(5-carbamimidoyl-1-benzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoate Traditional Name: 2-(5-amidinobenzothiophen-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propionic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/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)