ethyl 4,5-dimethyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)13-9(2)10(3)26-17(13)19-16(23)14-11-7-5-6-8-12(11)15(22)21-20-14/h5-8H,4H2,1-3H3,(H,19,23)(H,21,22)