(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H14N2O5S/c20-8-7-19-16(22)12-5-2-1-4-11(12)15(18-19)17(23)24-10-13(21)14-6-3-9-25-14/h1-6,9,20H,7-8,10H2