ethyl 2-acetamido-6-bromanyl-7-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-2,3-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-2,3-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxo-ethoxy]-2,3-dihydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxoethoxy]-2,3-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-oxoethoxy]-2,3-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[2-(2,6-dimethylanilino)-2-keto-ethoxy]-2,3-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H25BrN2O5S MolecularWeight: 521.424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=C1C=CC(=C2OCC(=O)NC3=C(C=CC=C3C)C)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1C(SC2=C1C=CC(=C2OCC(=O)NC3=C(C=CC=C3C)C)Br)NC(=O)C

InChI

InChI=1S/C23H25BrN2O5S/c1-5-30-23(29)18-15-9-10-16(24)20(21(15)32-22(18)25-14(4)27)31-11-17(28)26-19-12(2)7-6-8-13(19)3/h6-10,18,22H,5,11H2,1-4H3,(H,25,27)(H,26,28)