[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H17N3O5S/c22-8-7-21-17(24)14-6-2-1-5-13(14)16(20-21)18(25)26-11-15(23)19-10-12-4-3-9-27-12/h1-6,9,22H,7-8,10-11H2,(H,19,23)