(2-phenyl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (2-phenylthiazol-4-yl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2S/c1-15-7-9-16(10-8-15)11-18(12-22)21(24)25-13-19-14-26-20(23-19)17-5-3-2-4-6-17/h2-11,14H,13H2,1H3/b18-11+