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

Systemtic Name: ethyl 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C20H18ClNO4S/c1-3-25-20(24)18-14-6-4-5-7-16(14)27-19(18)22-17(23)11-26-15-9-8-13(21)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,22,23)