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

Systemtic Name: butyl 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzothiophene-3-carboxylic acid butyl ester Formula: C23H24ClNO4S MolecularWeight: 445.95896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C23H24ClNO4S/c1-4-5-12-28-23(27)20-17-8-6-7-9-19(17)30-22(20)25-21(26)15(3)29-18-11-10-16(24)13-14(18)2/h6-11,13,15H,4-5,12H2,1-3H3,(H,25,26)