propan-2-yl 5-methyl-2-[(4-nitrophenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5S/c1-13(2)29-22(26)19-18(15-7-5-4-6-8-15)14(3)30-21(19)23-20(25)16-9-11-17(12-10-16)24(27)28/h4-13H,1-3H3,(H,23,25)