3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C19H14N4O4S/c1-10-6-7-13-14(8-10)28-19(20-13)21-15(24)9-23-17(25)12-5-3-2-4-11(12)16(22-23)18(26)27/h2-8H,9H2,1H3,(H,26,27)(H,20,21,24)