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

Systemtic Name: 2-ethoxyethyl (E)-3-[(3-bromanyl-1,2-oxazol-5-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-3-[(3-bromoisoxazol-5-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(3-bromo-5-isoxazolyl)methylamino]-2-cyano-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-3-[(3-bromo-1,2-oxazol-5-yl)methylamino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(3-bromoisoxazol-5-yl)methylamino]-2-cyano-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C13H16BrN3O4S MolecularWeight: 390.25284

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CC(=NO1)Br)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CC(=NO1)Br)/SC)/C#N

InChI

InChI=1S/C13H16BrN3O4S/c1-3-19-4-5-20-13(18)10(7-15)12(22-2)16-8-9-6-11(14)17-21-9/h6,16H,3-5,8H2,1-2H3/b12-10+