methyl 5-[[2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[(4-fluorophenyl)amino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(4-fluoroanilino)-4-methyl-thiazole-5-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[2-(4-fluoroanilino)-4-methyl-5-thiazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(4-fluoroanilino)-4-methyl-thiazole-5-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16FN3O3S2 MolecularWeight: 441.498443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C21H16FN3O3S2/c1-11-18(30-21(23-11)25-14-5-3-13(22)4-6-14)19(26)24-15-7-8-16-12(9-15)10-17(29-16)20(27)28-2/h3-10H,1-2H3,(H,23,25)(H,24,26)