ethyl 4-(4-ethoxyphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(3-nitrobenzoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-3-29-17-10-8-14(9-11-17)18-13-31-21(19(18)22(26)30-4-2)23-20(25)15-6-5-7-16(12-15)24(27)28/h5-13H,3-4H2,1-2H3,(H,23,25)