methyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate

Systemtic Name: methyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate Openeye Name: methyl (E)-3-(1,3-benzothiazol-2-ylazo)but-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-ylazo)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-ylazo)but-2-enoic acid methyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)N=NC1=NC2=CC=CC=C2S1

Isomeric SMILES

C/C(=C\C(=O)OC)/N=NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H11N3O2S/c1-8(7-11(16)17-2)14-15-12-13-9-5-3-4-6-10(9)18-12/h3-7H,1-2H3/b8-7+,15-14?