dimethyl 5-azanyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-oxo-3-propylphthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C21H21N3O7S/c1-4-9-24-18(25)12-8-6-5-7-11(12)15(23-24)20(27)31-10-13-14(19(26)29-2)17(22)32-16(13)21(28)30-3/h5-8H,4,9-10,22H2,1-3H3