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

Systemtic Name: methyl 3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-3-[2-(4-cyanophenyl)benzothiophen-3-yl]propanoate CAS Name: 3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]propanoate Traditional Name: 2-(benzylamino)-3-[2-(4-cyanophenyl)benzothiophen-3-yl]propionic acid methyl ester Formula: C26H22N2O2S MolecularWeight: 426.53008

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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)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C#N)NCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-30-26(29)23(28-17-19-7-3-2-4-8-19)15-22-21-9-5-6-10-24(21)31-25(22)20-13-11-18(16-27)12-14-20/h2-14,23,28H,15,17H2,1H3