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

Systemtic Name: ethyl 2-[(Z)-3-[(2-chlorophenyl)amino]-2-cyano-3-oxidanylidene-1-phenylazanyl-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(Z)-1-anilino-3-(2-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(Z)-1-anilino-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-1-anilino-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-anilino-3-(2-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=CC=C1Cl)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CS/C(=C(/C#N)\C(=O)NC1=CC=CC=C1Cl)/NC2=CC=CC=C2

InChI

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