ethyl 2-cyano-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl 3-anilino-2-cyano-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-prop-2-enoate CAS Name: 3-anilino-2-cyano-3-[(2-ethoxy-2-oxoethyl)thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-anilino-2-cyano-3-(2-ethoxy-2-oxoethyl)sulfanylprop-2-enoate Traditional Name: 3-anilino-2-cyano-3-[(2-ethoxy-2-keto-ethyl)thio]acrylic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C#N)C(=O)OCC)NC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CSC(=C(C#N)C(=O)OCC)NC1=CC=CC=C1

InChI

InChI=1S/C16H18N2O4S/c1-3-21-14(19)11-23-15(13(10-17)16(20)22-4-2)18-12-8-6-5-7-9-12/h5-9,18H,3-4,11H2,1-2H3