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

Systemtic Name: ethyl 2-(2-carbamimidoyl-4-morpholin-4-yl-phenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate Openeye Name: ethyl 2-(2-carbamimidoyl-4-morpholino-phenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoate CAS Name: 2-[2-carbamimidoyl-4-(4-morpholinyl)phenyl]-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(2-carbamimidoyl-4-morpholin-4-ylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoate Traditional Name: 2-(2-amidino-4-morpholino-phenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid ethyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5S/c1-5-35-26(31)27(2,16-19-12-17-13-22(32-3)23(33-4)15-24(17)36-19)21-7-6-18(14-20(21)25(28)29)30-8-10-34-11-9-30/h6-7,12-15H,5,8-11,16H2,1-4H3,(H3,28,29)