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1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate
Openeye Name:1,3-benzothiazol-2-ylmethyl 4-oxo-3-phenyl-phthalazine-1-carboxylate
CAS Name:4-oxo-3-phenyl-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 4-oxo-3-phenylphthalazine-1-carboxylate
Traditional Name:4-keto-3-phenyl-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C23H15N3O3S
MolecularWeight: 413.4485
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5S4


Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5S4


InChI

InChI=1S/C23H15N3O3S/c27-22-17-11-5-4-10-16(17)21(25-26(22)15-8-2-1-3-9-15)23(28)29-14-20-24-18-12-6-7-13-19(18)30-20/h1-13H,14H2


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