dimethyl 5-azanyl-3-[3-(thiophen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(thiophen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(2-thienylsulfonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-(thiophen-2-ylsulfonylamino)propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(thiophen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(2-thienylsulfonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18N2O8S3 MolecularWeight: 462.51772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCNS(=O)(=O)C2=CC=CS2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCNS(=O)(=O)C2=CC=CS2)C(=O)OC)N

InChI

InChI=1S/C16H18N2O8S3/c1-24-15(20)12-9(13(16(21)25-2)28-14(12)17)8-26-10(19)5-6-18-29(22,23)11-4-3-7-27-11/h3-4,7,18H,5-6,8,17H2,1-2H3