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

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic 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] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H17N3O4S/c1-2-9-22(11-13-6-5-10-27-13)16(23)12-26-19(25)17-14-7-3-4-8-15(14)18(24)21-20-17/h2-8,10H,1,9,11-12H2,(H,21,24)