2-ethoxyethyl (E)-3-[(2-bromanyl-1,3-thiazol-5-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-3-[(2-bromanyl-1,3-thiazol-5-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-3-[(2-bromothiazol-5-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(2-bromo-5-thiazolyl)methylamino]-2-cyano-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-3-[(2-bromo-1,3-thiazol-5-yl)methylamino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(2-bromothiazol-5-yl)methylamino]-2-cyano-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C13H16BrN3O3S2 MolecularWeight: 406.31844

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CN=C(S1)Br)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CN=C(S1)Br)/SC)/C#N

InChI

InChI=1S/C13H16BrN3O3S2/c1-3-19-4-5-20-12(18)10(6-15)11(21-2)16-7-9-8-17-13(14)22-9/h8,16H,3-5,7H2,1-2H3/b11-10+