ethyl 2-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-phenylazanyl-prop-1-enyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-phenylazanyl-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-1-anilino-3-(4-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(E)-1-anilino-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-anilino-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(E)-1-anilino-3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]thio]acetic acid ethyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C#N)C(=O)NC1=CC=C(C=C1)Cl)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CS/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)Cl)/NC2=CC=CC=C2

InChI

InChI=1S/C20H18ClN3O3S/c1-2-27-18(25)13-28-20(24-15-6-4-3-5-7-15)17(12-22)19(26)23-16-10-8-14(21)9-11-16/h3-11,24H,2,13H2,1H3,(H,23,26)/b20-17+