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

Systemtic Name: dimethyl 5-azanyl-3-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[4-chloro-3-(2-ketopyrrolidino)benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O)C(=O)OC)N

InChI

InChI=1S/C20H19ClN2O7S/c1-28-19(26)15-11(16(20(27)29-2)31-17(15)22)9-30-18(25)10-5-6-12(21)13(8-10)23-7-3-4-14(23)24/h5-6,8H,3-4,7,9,22H2,1-2H3