[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H21N3O6S/c1-3-33-24(31)18-13-19(15-9-5-4-6-10-15)35-22(18)26-20(29)14-34-25(32)21-16-11-7-8-12-17(16)23(30)28(2)27-21/h4-13H,3,14H2,1-2H3,(H,26,29)