2-(2-carbamimidoyl-4-morpholin-4-yl-phenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(2-carbamimidoyl-4-morpholin-4-yl-phenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(2-carbamimidoyl-4-morpholino-phenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoic acid CAS Name: 2-[2-carbamimidoyl-4-(4-morpholinyl)phenyl]-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid IUPAC Name: 2-(2-carbamimidoyl-4-morpholin-4-ylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid Traditional Name: 2-(2-amidino-4-morpholino-phenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=C(C=C(C=C3)N4CCOCC4)C(=N)N)C(=O)O

Isomeric SMILES

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=C(C=C(C=C3)N4CCOCC4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H29N3O5S/c1-25(24(29)30,14-17-10-15-11-20(31-2)21(32-3)13-22(15)34-17)19-5-4-16(12-18(19)23(26)27)28-6-8-33-9-7-28/h4-5,10-13H,6-9,14H2,1-3H3,(H3,26,27)(H,29,30)