ethyl (E)-2-cyano-3-(1,2-thiazol-3-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(1,2-thiazol-3-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(isothiazol-3-ylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-isothiazolylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(1,2-thiazol-3-ylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(isothiazol-3-ylamino)acrylic acid ethyl ester Formula: C9H9N3O2S MolecularWeight: 223.25166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O2S/c1-2-14-9(13)7(5-10)6-11-8-3-4-15-12-8/h3-4,6H,2H2,1H3,(H,11,12)/b7-6+