ethyl 4-[[(Z)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: ethyl 4-[[(Z)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: ethyl 4-[[(Z)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(Z)-2-cyano-3-ethoxy-1-(methylthio)-3-oxoprop-1-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(Z)-2-cyano-3-ethoxy-3-keto-1-(methylthio)prop-1-enyl]amino]benzoic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/C(=C(\C#N)/C(=O)OCC)/SC

InChI

InChI=1S/C16H18N2O4S/c1-4-21-15(19)11-6-8-12(9-7-11)18-14(23-3)13(10-17)16(20)22-5-2/h6-9,18H,4-5H2,1-3H3/b14-13-