[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyrazine-2-carboxylate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyrazine-2-carboxylate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H18N4O5S/c1-14-10-15(29-12-20-26-16-4-2-3-5-19(16)32-20)6-7-18(14)31-22(28)25-13-30-21(27)17-11-23-8-9-24-17/h2-11H,12-13H2,1H3,(H,25,28)