ethyl 6-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-(2-chloranylethanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-7-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-(2-chloranylethanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-bromo-7-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-[(2-chloroacetyl)amino]benzothiophene-3-carboxylate CAS Name: 6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(2-chloro-1-oxoethyl)amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-7-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(2-chloroacetyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-bromo-7-[2-(4-bromophenyl)-2-keto-ethoxy]-2-[(2-chloroacetyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H16Br2ClNO5S MolecularWeight: 589.68144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)Br)Br)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)Br)Br)NC(=O)CCl

InChI

InChI=1S/C21H16Br2ClNO5S/c1-2-29-21(28)17-13-7-8-14(23)18(19(13)31-20(17)25-16(27)9-24)30-10-15(26)11-3-5-12(22)6-4-11/h3-8H,2,9-10H2,1H3,(H,25,27)