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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H19N3O3S2/c1-2-3-9-24-20(25)17-7-5-4-6-16(17)18(23-24)21(26)27-11-15-13-29-19(22-15)14-8-10-28-12-14/h4-8,10,12-13H,2-3,9,11H2,1H3