methyl 2-[(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbonylamino]benzoate Openeye Name: methyl 2-[[2-(1-piperidyl)-1,3-benzothiazole-6-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-piperidin-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate Traditional Name: 2-[(2-piperidino-1,3-benzothiazole-6-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=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4

InChI

InChI=1S/C21H21N3O3S/c1-27-20(26)15-7-3-4-8-16(15)22-19(25)14-9-10-17-18(13-14)28-21(23-17)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25)