(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H17N3O3S2/c1-2-8-23-19(24)16-6-4-3-5-15(16)17(22-23)20(25)26-10-14-12-28-18(21-14)13-7-9-27-11-13/h3-7,9,11-12H,2,8,10H2,1H3