thiophen-2-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: thiophen-2-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 2-thienylmethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 2-thenyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CS4

InChI

InChI=1S/C21H16N2O3S/c24-20-18-11-5-4-10-17(18)19(21(25)26-14-16-9-6-12-27-16)22-23(20)13-15-7-2-1-3-8-15/h1-12H,13-14H2