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

Systemtic Name: ethyl (E)-3-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(2-bromo-4-thiocyanato-anilino)-2-cyano-prop-2-enoate CAS Name: (E)-3-(2-bromo-4-thiocyanatoanilino)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-bromo-4-thiocyanatoanilino)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(2-bromo-4-thiocyanato-anilino)-2-cyano-acrylic acid ethyl ester Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O2S/c1-2-19-13(18)9(6-15)7-17-12-4-3-10(20-8-16)5-11(12)14/h3-5,7,17H,2H2,1H3/b9-7+