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

Systemtic Name: ethyl 2-(4-carbamimidoylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate Openeye Name: ethyl 2-(4-carbamimidoylphenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoate CAS Name: 2-(4-carbamimidoylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-carbamimidoylphenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoate Traditional Name: 2-(4-amidinophenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-5-29-22(26)23(2,16-8-6-14(7-9-16)21(24)25)13-17-10-15-11-18(27-3)19(28-4)12-20(15)30-17/h6-12H,5,13H2,1-4H3,(H3,24,25)