methyl (E)-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]prop-2-enoate Openeye Name: methyl (E)-2-(benzylamino)-3-[2-(4-cyanophenyl)benzothiophen-3-yl]prop-2-enoate CAS Name: (E)-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(benzylamino)-3-[2-(4-cyanophenyl)-1-benzothiophen-3-yl]prop-2-enoate Traditional Name: (E)-2-(benzylamino)-3-[2-(4-cyanophenyl)benzothiophen-3-yl]acrylic acid methyl ester Formula: C26H20N2O2S MolecularWeight: 424.5142

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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(=C\C1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C#N)/NCC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O2S/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/h2-15,28H,17H2,1H3/b23-15+