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

Systemtic Name: O1-methyl O4-(2-piperidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(1-piperidyl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: 1-O-methyl 4-O-(2-piperidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-(2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCCC4

InChI

InChI=1S/C21H20N2O4S/c1-26-19(24)14-5-7-15(8-6-14)20(25)27-16-9-10-17-18(13-16)28-21(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3