diethyl 5-azanyl-3-[(3-azanyl-4-chloranyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(3-azanyl-4-chloranyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(3-amino-4-chloro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-amino-4-chlorophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(3-amino-4-chlorobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-amino-4-chloro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H19ClN2O6S MolecularWeight: 426.87126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Cl)N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=C(C=C2)Cl)N)C(=O)OCC)N

InChI

InChI=1S/C18H19ClN2O6S/c1-3-25-17(23)13-10(14(28-15(13)21)18(24)26-4-2)8-27-16(22)9-5-6-11(19)12(20)7-9/h5-7H,3-4,8,20-21H2,1-2H3