[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H24N2O3S/c1-15-9-10-17(12-16(15)2)23(27)28-14-21(26)25-11-5-6-18(13-25)22-24-19-7-3-4-8-20(19)29-22/h3-4,7-10,12,18H,5-6,11,13-14H2,1-2H3/t18-/m1/s1