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

Systemtic Name: butyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H26ClNO4S MolecularWeight: 459.98554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClNO4S/c1-3-4-13-30-24(28)22-18-8-5-6-9-20(18)31-23(22)26-21(27)10-7-14-29-19-12-11-17(25)15-16(19)2/h5-6,8-9,11-12,15H,3-4,7,10,13-14H2,1-2H3,(H,26,27)