dimethyl 5-azanyl-3-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-mesylisonipecotoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H22N2O8S2 MolecularWeight: 434.48448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC)N

InChI

InChI=1S/C16H22N2O8S2/c1-24-15(20)11-10(12(16(21)25-2)27-13(11)17)8-26-14(19)9-4-6-18(7-5-9)28(3,22)23/h9H,4-8,17H2,1-3H3