(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C18H13N3O4S2/c22-15(25-8-12-10-27-17(19-12)11-5-6-26-9-11)7-21-18(24)14-4-2-1-3-13(14)16(23)20-21/h1-6,9-10H,7-8H2,(H,20,23)