thiophen-2-ylmethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: thiophen-2-ylmethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-thienylmethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 2-thenyl ester Formula: C15H12N2O3S MolecularWeight: 300.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CS3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CS3

InChI

InChI=1S/C15H12N2O3S/c1-17-14(18)12-7-3-2-6-11(12)13(16-17)15(19)20-9-10-5-4-8-21-10/h2-8H,9H2,1H3