4-oxidanylidene-3-[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(2-thenylamino)ethyl]phthalazine-1-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-10(15(21)18-9-11-5-4-8-25-11)20-16(22)13-7-3-2-6-12(13)14(19-20)17(23)24/h2-8,10H,9H2,1H3,(H,18,21)(H,23,24)