methyl 2-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]-methyl-amino]benzoate CAS Name: 2-[[[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]-methylamino]benzoate Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)nicotinoyl]-methyl-amino]benzoic acid methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O3S/c1-25(17-11-5-3-8-14(17)22(27)28-2)21(26)15-9-7-13-23-19(15)20-24-16-10-4-6-12-18(16)29-20/h3-13H,1-2H3