ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClNO4S/c1-3-27-22(26)20-16-7-4-5-8-18(16)29-21(20)24-19(25)9-6-12-28-17-11-10-15(23)13-14(17)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,24,25)