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

Systemtic Name: ethyl 4-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c1-2-28-22(27)14-9-11-15(12-10-14)24-20(26)16-6-5-13-23-19(16)21-25-17-7-3-4-8-18(17)29-21/h3-13H,2H2,1H3,(H,24,26)