ethyl 3-[2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethoxy]benzoate

Systemtic Name: ethyl 3-[2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethoxy]benzoate Openeye Name: ethyl 3-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethoxy]benzoate CAS Name: 3-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethoxy]benzoate Traditional Name: 3-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]ethoxy]benzoic acid ethyl ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-2-28-21(27)16-4-3-5-18(14-16)29-13-12-25-8-10-26(11-9-25)22-24-19-7-6-17(23)15-20(19)30-22/h3-7,14-15H,2,8-13H2,1H3