methyl 3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-27-20(25)14-6-4-8-16(12-14)22-21(26)24-11-5-7-15(13-24)19-23-17-9-2-3-10-18(17)28-19/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,22,26)