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

Systemtic Name: dimethyl 5-azanyl-3-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[1-(4-chlorobenzoyl)isonipecotoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC)N

InChI

InChI=1S/C22H23ClN2O7S/c1-30-21(28)16-15(17(22(29)31-2)33-18(16)24)11-32-20(27)13-7-9-25(10-8-13)19(26)12-3-5-14(23)6-4-12/h3-6,13H,7-11,24H2,1-2H3