[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3O4S/c1-11(14-8-5-9-26-14)19-15(22)10-25-18(24)16-12-6-3-4-7-13(12)17(23)21(2)20-16/h3-9,11H,10H2,1-2H3,(H,19,22)