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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-3-9-21-17(23)12-7-5-4-6-11(12)14(20-21)16(22)19-13-8-10-26-15(13)18(24)25-2/h4-8,10H,3,9H2,1-2H3,(H,19,22)