ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H17ClN2O4S/c1-3-28-22(27)18-14-9-5-7-11-16(14)30-21(18)24-20(26)17-12(2)29-25-19(17)13-8-4-6-10-15(13)23/h4-11H,3H2,1-2H3,(H,24,26)