methyl 4-[[2-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-3-(2-thienyl)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C23H17NO4S/c1-27-23(26)17-10-8-16(9-11-17)15-28-20-6-3-2-5-18(20)13-19(14-24)22(25)21-7-4-12-29-21/h2-13H,15H2,1H3/b19-13+