[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C22H23N3O6S/c1-5-10-25-20(27)15-9-7-6-8-14(15)18(24-25)22(29)31-11-16(26)23-19-17(21(28)30-4)12(2)13(3)32-19/h6-9H,5,10-11H2,1-4H3,(H,23,26)