(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl) ester IUPAC Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) ester Formula: C20H13N3O3S2 MolecularWeight: 407.46552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C20H13N3O3S2/c1-10-21-17-15(28-10)9-14(13-7-8-27-18(13)17)26-20(25)16-11-5-3-4-6-12(11)19(24)23(2)22-16/h3-9H,1-2H3