ethyl 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(methylthio)phenyl]acryloyl]amino]benzoic acid ethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N

InChI

InChI=1S/C20H18N2O3S/c1-3-25-20(24)15-6-8-17(9-7-15)22-19(23)16(13-21)12-14-4-10-18(26-2)11-5-14/h4-12H,3H2,1-2H3,(H,22,23)/b16-12+