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

Systemtic Name: ethyl 6-bromanyl-7-(2-diethylaminoethyloxy)-2-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-7-(2-diethylaminoethyloxy)-2-[(4-nitrobenzoyl)amino]benzothiophene-3-carboxylate hydrochloride CAS Name: 6-bromo-7-(2-diethylaminoethyloxy)-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-7-(2-diethylaminoethyloxy)-2-[(4-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate hydrochloride Traditional Name: 6-bromo-7-(2-diethylaminoethyloxy)-2-[(4-nitrobenzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester hydrochloride Formula: C24H27BrClN3O6S MolecularWeight: 600.90968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br.Cl

Isomeric SMILES

CCN(CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br.Cl

InChI

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