methyl 3-[[1-(6-chloranyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 3-[[1-(6-chloranyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methylsulfanyl]benzoate Openeye Name: methyl 3-[[1-(6-chloro-1,3-benzothiazol-2-yl)-4-piperidyl]methylsulfanyl]benzoate CAS Name: 3-[[1-(6-chloro-1,3-benzothiazol-2-yl)-4-piperidinyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]methylsulfanyl]benzoate Traditional Name: 3-[[1-(6-chloro-1,3-benzothiazol-2-yl)-4-piperidyl]methylthio]benzoic acid methyl ester Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SCC2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SCC2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S2/c1-26-20(25)15-3-2-4-17(11-15)27-13-14-7-9-24(10-8-14)21-23-18-6-5-16(22)12-19(18)28-21/h2-6,11-12,14H,7-10,13H2,1H3