[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C20H19N3O4S/c1-3-10-23(12-14-7-6-11-28-14)17(24)13-27-20(26)18-15-8-4-5-9-16(15)19(25)22(2)21-18/h3-9,11H,1,10,12-13H2,2H3