methyl 4-(2,5-dimethylphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O5S/c1-12-5-6-13(2)16(9-12)17-11-30-21(19(17)22(26)29-4)23-20(25)15-7-8-18(24(27)28)14(3)10-15/h5-11H,1-4H3,(H,23,25)