dimethyl 5-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(1,3-benzothiazol-2-yl)pyrazinoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H16N4O5S MolecularWeight: 448.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5S/c1-30-21(28)12-9-13(22(29)31-2)11-14(10-12)25-19(27)17-18(24-8-7-23-17)20-26-15-5-3-4-6-16(15)32-20/h3-11H,1-2H3,(H,25,27)