ethyl (E)-2-cyano-3-[(2-ethyl-4-thiocyanato-phenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-ethyl-4-thiocyanato-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2-ethyl-4-thiocyanato-anilino)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-ethyl-4-thiocyanatoanilino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-ethyl-4-thiocyanatoanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-ethyl-4-thiocyanato-anilino)acrylic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C15H15N3O2S/c1-3-11-7-13(21-10-17)5-6-14(11)18-9-12(8-16)15(19)20-4-2/h5-7,9,18H,3-4H2,1-2H3/b12-9+