methyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]benzoate CAS Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S/c1-27-22(26)16-8-2-4-10-18(16)28-14-20(25)24-12-6-7-15(13-24)21-23-17-9-3-5-11-19(17)29-21/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m1/s1