methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]benzoic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S2/c1-27-22(26)16-6-2-4-8-18(16)28-14-20(25)24-12-10-15(11-13-24)21-23-17-7-3-5-9-19(17)29-21/h2-9,15H,10-14H2,1H3