[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[hexyl-(4-phenyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C27H28N4O4S/c1-3-4-5-11-16-31(27-28-22(18-36-27)19-12-7-6-8-13-19)23(32)17-35-26(34)24-20-14-9-10-15-21(20)25(33)30(2)29-24/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3