propyl 4-(2,5-dimethylphenyl)-2-[(2-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propyl 4-(2,5-dimethylphenyl)-2-[(2-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: propyl 4-(2,5-dimethylphenyl)-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[(2-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(2,5-dimethylphenyl)-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxylic acid propyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5S/c1-4-11-30-23(27)20-18(17-12-14(2)9-10-15(17)3)13-31-22(20)24-21(26)16-7-5-6-8-19(16)25(28)29/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)