[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)CCNC(=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(S3)CCNC(=O)C

InChI

InChI=1S/C25H29N3O5S/c1-3-4-5-8-15-28-24(31)20-10-7-6-9-19(20)23(27-28)25(32)33-16-21(30)22-12-11-18(34-22)13-14-26-17(2)29/h6-7,9-12H,3-5,8,13-16H2,1-2H3,(H,26,29)