ethyl (E)-2-cyano-3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]sulfanyl-prop-2-enoate CAS Name: (E)-3-anilino-2-cyano-3-[[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-enoate Traditional Name: (E)-3-anilino-2-cyano-3-[[(E)-3-keto-3-(p-tolyl)prop-1-enyl]thio]acrylic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)SC=CC(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC=CC=C1)/S/C=C/C(=O)C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C22H20N2O3S/c1-3-27-22(26)19(15-23)21(24-18-7-5-4-6-8-18)28-14-13-20(25)17-11-9-16(2)10-12-17/h4-14,24H,3H2,1-2H3/b14-13+,21-19+