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

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

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O5S/c1-4-14-5-7-15(8-6-14)17-12-30-21(19(17)22(26)29-3)23-20(25)16-9-10-18(24(27)28)13(2)11-16/h5-12H,4H2,1-3H3,(H,23,25)