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

Systemtic Name: ethyl (E)-2-cyano-3-[(2-methyl-4-thiocyanato-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2-methyl-4-thiocyanato-anilino)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-methyl-4-thiocyanatoanilino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-methyl-4-thiocyanatoanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-methyl-4-thiocyanato-anilino)acrylic acid ethyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=C(C=C1)SC#N)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=C(C=C1)SC#N)C)/C#N

InChI

InChI=1S/C14H13N3O2S/c1-3-19-14(18)11(7-15)8-17-13-5-4-12(20-9-16)6-10(13)2/h4-6,8,17H,3H2,1-2H3/b11-8+