[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] pyrazine-2-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] pyrazine-2-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H12N4O3S/c1-21-13-4-2-3-5-15(13)25-16(21)11(8-18)14(22)10-24-17(23)12-9-19-6-7-20-12/h2-7,9H,10H2,1H3/b16-11-