ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO6S MolecularWeight: 562.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C26H28BrNO6S/c1-5-31-20-13-17(14-21(32-6-2)23(20)33-7-3)24(29)28-25-22(26(30)34-8-4)19(15-35-25)16-9-11-18(27)12-10-16/h9-15H,5-8H2,1-4H3,(H,28,29)