O2-tert-butyl O4-ethyl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-6-29-18(25)14-10(2)15(19(26)30-20(3,4)5)31-17(14)22-16(24)12-9-11(23(27)28)7-8-13(12)21/h7-9H,6H2,1-5H3,(H,22,24)