ethyl 2-[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate Openeye Name: ethyl 2-[(3-hexyl-4-oxo-phthalazine-1-carbonyl)amino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate CAS Name: 2-[[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate Traditional Name: 2-[(3-hexyl-4-keto-phthalazine-1-carbonyl)amino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylic acid ethyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)SCCC4)C(=O)OCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)SCCC4)C(=O)OCC

InChI

InChI=1S/C25H29N3O4S2/c1-3-5-6-9-14-28-23(30)17-12-8-7-11-16(17)20(27-28)21(29)26-22-19(24(31)32-4-2)18-13-10-15-33-25(18)34-22/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,26,29)