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

Systemtic Name: cyanomethyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid cyanomethyl ester Formula: C12H8N2O2S MolecularWeight: 244.26912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OCC#N

InChI

InChI=1S/C12H8N2O2S/c13-7-8-16-12(15)6-5-11-14-9-3-1-2-4-10(9)17-11/h1-6H,8H2/b6-5+