[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c1-15-7-2-3-9-17(15)22(26)27-14-20(25)24-12-6-8-16(13-24)21-23-18-10-4-5-11-19(18)28-21/h2-5,7,9-11,16H,6,8,12-14H2,1H3/t16-/m1/s1