dimethyl 5-azanyl-3-[[4-(2-methylpropoxy)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-(2-methylpropoxy)phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-isobutoxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(2-methylpropoxy)phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-(2-methylpropoxy)benzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-isobutoxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H23NO7S/c1-11(2)9-27-13-7-5-12(6-8-13)18(22)28-10-14-15(19(23)25-3)17(21)29-16(14)20(24)26-4/h5-8,11H,9-10,21H2,1-4H3