[(1R)-1-cyanoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H10N2O2S/c1-9(8-14)17-13(16)7-6-12-15-10-4-2-3-5-11(10)18-12/h2-7,9H,1H3/b7-6+/t9-/m1/s1