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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H26BrNO6S MolecularWeight: 548.44604

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO6S/c1-5-31-19-12-16(13-20(32-6-2)22(19)33-7-3)23(28)27-24-21(25(29)30-4)18(14-34-24)15-8-10-17(26)11-9-15/h8-14H,5-7H2,1-4H3,(H,27,28)