(E)-2-(4-methoxyphenyl)carbonyl-3-[4-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methoxyphenyl)carbonyl-3-[4-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-methoxybenzoyl)-3-[4-(2-phenylethynyl)-2-thienyl]prop-2-enenitrile CAS Name: (E)-2-[(4-methoxyphenyl)-oxomethyl]-3-[4-(2-phenylethynyl)-2-thiophenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methoxybenzoyl)-3-[4-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile Traditional Name: (E)-2-p-anisoyl-3-[4-(2-phenylethynyl)-2-thienyl]acrylonitrile Formula: C23H15NO2S MolecularWeight: 369.4357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC(=CS2)C#CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CS2)C#CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H15NO2S/c1-26-21-11-9-19(10-12-21)23(25)20(15-24)14-22-13-18(16-27-22)8-7-17-5-3-2-4-6-17/h2-6,9-14,16H,1H3/b20-14+