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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H11N3O3S2 MolecularWeight: 369.41754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C17H11N3O3S2/c21-15-13-4-2-1-3-12(13)14(19-20-15)17(22)23-7-11-9-25-16(18-11)10-5-6-24-8-10/h1-6,8-9H,7H2,(H,20,21)