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

Systemtic Name: dimethyl 5-azanyl-3-[[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[4-[(2-ketopyrrolidino)methyl]benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C(=O)OC)N

InChI

InChI=1S/C21H22N2O7S/c1-28-20(26)16-14(17(21(27)29-2)31-18(16)22)11-30-19(25)13-7-5-12(6-8-13)10-23-9-3-4-15(23)24/h5-8H,3-4,9-11,22H2,1-2H3