dimethyl 5-azanyl-3-[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-butyl-6-oxo-pyridazine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-butyl-6-oxo-3-pyridazinyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-butyl-6-oxopyridazine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-butyl-6-keto-pyridazine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H21N3O7S/c1-4-5-8-21-12(22)7-6-11(20-21)16(23)28-9-10-13(17(24)26-2)15(19)29-14(10)18(25)27-3/h6-7H,4-5,8-9,19H2,1-3H3