(4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (4-cyanobenzyl) ester Formula: C20H12N4O2S MolecularWeight: 372.39988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC=CN=C3C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H12N4O2S/c21-11-13-5-7-14(8-6-13)12-26-20(25)18-17(22-9-10-23-18)19-24-15-3-1-2-4-16(15)27-19/h1-10H,12H2