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

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylbenzoate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19ClN2O3S/c22-16-8-2-1-7-15(16)21(26)27-13-19(25)24-11-5-6-14(12-24)20-23-17-9-3-4-10-18(17)28-20/h1-4,7-10,14H,5-6,11-13H2/t14-/m1/s1