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

Systemtic Name: 2-(2-carbamimidoyl-4-morpholin-4-yl-phenoxy)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(2-carbamimidoyl-4-morpholino-phenoxy)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoic acid CAS Name: 2-[2-carbamimidoyl-4-(4-morpholinyl)phenoxy]-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid IUPAC Name: 2-(2-carbamimidoyl-4-morpholin-4-ylphenoxy)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid Traditional Name: 2-(2-amidino-4-morpholino-phenoxy)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C(=O)O)OC3=C(C=C(C=C3)N4CCOCC4)C(=N)N

Isomeric SMILES

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C(=O)O)OC3=C(C=C(C=C3)N4CCOCC4)C(=N)N

InChI

InChI=1S/C25H29N3O6S/c1-25(24(29)30,14-17-10-15-11-20(31-2)21(32-3)13-22(15)35-17)34-19-5-4-16(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)