dimethyl 5-azanyl-3-[(2-chloranyl-5-methylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-chloranyl-5-methylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-chloro-5-methylsulfonyl-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-chloro-5-methylsulfonylphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-chloro-5-methylsulfonylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-chloro-5-mesyl-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16ClNO8S2 MolecularWeight: 461.89384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C(=O)OC)N

InChI

InChI=1S/C17H16ClNO8S2/c1-25-16(21)12-10(13(17(22)26-2)28-14(12)19)7-27-15(20)9-6-8(29(3,23)24)4-5-11(9)18/h4-6H,7,19H2,1-3H3