[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H11FN4O4S MolecularWeight: 398.367743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C18H11FN4O4S/c19-9-5-6-12-13(7-9)28-18(20-12)21-14(24)8-27-17(26)15-10-3-1-2-4-11(10)16(25)23-22-15/h1-7H,8H2,(H,23,25)(H,20,21,24)