(2,6-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (2,6-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2,6-dimethylphenyl) ester Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O2S/c1-12-6-5-7-13(2)18(12)25-20(24)17-16(21-10-11-22-17)19-23-14-8-3-4-9-15(14)26-19/h3-11H,1-2H3