methyl 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-3-4-10-22-18(24)13-8-6-5-7-12(13)15(21-22)17(23)20-14-9-11-27-16(14)19(25)26-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)