dipropan-2-yl 5-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 5-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C20H21ClN2O7S/c1-9(2)29-19(25)15-11(5)16(20(26)30-10(3)4)31-18(15)22-17(24)12-6-7-13(21)14(8-12)23(27)28/h6-10H,1-5H3,(H,22,24)