methyl 2-benzamido-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]propanoate

Systemtic Name: methyl 2-benzamido-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]propanoate Openeye Name: methyl 2-benzamido-3-[2-(4-cyanophenyl)benzothiophen-3-yl]propanoate CAS Name: 2-benzamido-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]propanoate Traditional Name: 2-benzamido-3-[2-(4-cyanophenyl)benzothiophen-3-yl]propionic acid methyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O3S/c1-31-26(30)22(28-25(29)19-7-3-2-4-8-19)15-21-20-9-5-6-10-23(20)32-24(21)18-13-11-17(16-27)12-14-18/h2-14,22H,15H2,1H3,(H,28,29)