methyl 5-chloranyl-2-piperidin-4-yl-4-pyridazin-3-yl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 5-chloranyl-2-piperidin-4-yl-4-pyridazin-3-yl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 5-chloro-2-(4-piperidyl)-4-pyridazin-3-yl-1,3-benzothiazole-6-carboxylate CAS Name: 5-chloro-2-(4-piperidinyl)-4-(3-pyridazinyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-piperidin-4-yl-4-pyridazin-3-yl-1,3-benzothiazole-6-carboxylate Traditional Name: 5-chloro-2-(4-piperidyl)-4-pyridazin-3-yl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=C1Cl)C3=NN=CC=C3)N=C(S2)C4CCNCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C(=C1Cl)C3=NN=CC=C3)N=C(S2)C4CCNCC4

InChI

InChI=1S/C18H17ClN4O2S/c1-25-18(24)11-9-13-16(14(15(11)19)12-3-2-6-21-23-12)22-17(26-13)10-4-7-20-8-5-10/h2-3,6,9-10,20H,4-5,7-8H2,1H3