O1-methyl O4-[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c1-32-24(30)18-7-9-19(10-8-18)25(31)33-21-11-12-22-23(17-21)34-26(27-22)29-15-13-28(14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3