ethyl 2-[(2-carbamimidoyl-4-morpholin-4-yl-phenoxy)methyl]-3-(4-chloranyl-5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate

Systemtic Name: ethyl 2-[(2-carbamimidoyl-4-morpholin-4-yl-phenoxy)methyl]-3-(4-chloranyl-5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate Openeye Name: ethyl 2-[(2-carbamimidoyl-4-morpholino-phenoxy)methyl]-3-(4-chloro-5,6-dimethoxy-benzothiophen-2-yl)-2-methyl-propanoate CAS Name: 2-[[2-carbamimidoyl-4-(4-morpholinyl)phenoxy]methyl]-3-(4-chloro-5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-carbamimidoyl-4-morpholin-4-ylphenoxy)methyl]-3-(4-chloro-5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoate Traditional Name: 2-[(2-amidino-4-morpholino-phenoxy)methyl]-3-(4-chloro-5,6-dimethoxy-benzothiophen-2-yl)-2-methyl-propionic acid ethyl ester Formula: C28H34ClN3O6S MolecularWeight: 576.10406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC2=C(S1)C=C(C(=C2Cl)OC)OC)COC3=C(C=C(C=C3)N4CCOCC4)C(=N)N

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC2=C(S1)C=C(C(=C2Cl)OC)OC)COC3=C(C=C(C=C3)N4CCOCC4)C(=N)N

InChI

InChI=1S/C28H34ClN3O6S/c1-5-37-27(33)28(2,15-18-13-20-23(39-18)14-22(34-3)25(35-4)24(20)29)16-38-21-7-6-17(12-19(21)26(30)31)32-8-10-36-11-9-32/h6-7,12-14H,5,8-11,15-16H2,1-4H3,(H3,30,31)