ethyl 5-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-2-[2-(2-pyridinyl)-4-thiazolyl]ethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[2-(2-pyridyl)thiazol-4-yl]acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3=CSC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C21H17N3O3S2/c1-2-27-21(26)18-10-13-9-14(6-7-17(13)29-18)23-19(25)11-15-12-28-20(24-15)16-5-3-4-8-22-16/h3-10,12H,2,11H2,1H3,(H,23,25)