[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H19N3O4S/c1-24-8-10-25(11-9-24)22-23-17-7-6-15(13-19(17)30-22)28-20(26)16-12-14-4-2-3-5-18(14)29-21(16)27/h2-7,12-13H,8-11H2,1H3