methyl 3-azanyl-5-methyl-4-(2-nitrophenyl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-methyl-4-(2-nitrophenyl)sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-methyl-4-(2-nitrophenyl)sulfonyl-thiophene-2-carboxylate CAS Name: 3-amino-5-methyl-4-(2-nitrophenyl)sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-methyl-4-(2-nitrophenyl)sulfonylthiophene-2-carboxylate Traditional Name: 3-amino-5-methyl-4-(2-nitrophenyl)sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C13H12N2O6S2 MolecularWeight: 356.37418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6S2/c1-7-12(10(14)11(22-7)13(16)21-2)23(19,20)9-6-4-3-5-8(9)15(17)18/h3-6H,14H2,1-2H3