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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H25N3O6S/c1-3-14-30-25(32)19-13-9-8-12-18(19)23(29-30)27(34)36-15-21(31)28-24-22(26(33)35-4-2)20(16-37-24)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,28,31)