ethyl (E)-3-(1,3-benzothiazol-2-yl)-3-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(1,3-benzothiazol-2-yl)-3-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(1,3-benzothiazol-2-yl)-3-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-3-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1,3-benzothiazol-2-yl)-3-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-3-cyano-acrylic acid ethyl ester Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)/C=C(\C#N)/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H10N2O2S/c1-2-17-12(16)7-9(8-14)13-15-10-5-3-4-6-11(10)18-13/h3-7H,2H2,1H3/b9-7+