methyl 4-(4-bromophenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H15BrN2O5S MolecularWeight: 475.3125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN2O5S/c1-11-9-13(5-8-16(11)23(26)27)18(24)22-19-17(20(25)28-2)15(10-29-19)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H,22,24)