ethyl 6-bromanyl-7-(2-diethylaminoethyloxy)-3-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-bromanyl-7-(2-diethylaminoethyloxy)-3-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-bromo-7-(2-diethylaminoethyloxy)-3-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 6-bromo-7-(2-diethylaminoethyloxy)-3-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-7-(2-diethylaminoethyloxy)-3-[(4-nitrobenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 6-bromo-7-(2-diethylaminoethyloxy)-3-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H26BrN3O6S MolecularWeight: 564.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=CC2=C1SC(=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)Br

Isomeric SMILES

CCN(CC)CCOC1=C(C=CC2=C1SC(=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)Br

InChI

InChI=1S/C24H26BrN3O6S/c1-4-27(5-2)13-14-34-20-18(25)12-11-17-19(22(35-21(17)20)24(30)33-6-3)26-23(29)15-7-9-16(10-8-15)28(31)32/h7-12H,4-6,13-14H2,1-3H3,(H,26,29)