[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

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