methyl 4-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-yl)nicotinoyl]amino]benzoic acid methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S/c1-27-21(26)13-8-10-14(11-9-13)23-19(25)15-5-4-12-22-18(15)20-24-16-6-2-3-7-17(16)28-20/h2-12H,1H3,(H,23,25)