3-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H17N3O5S/c1-11(23)20-9-8-12-6-7-16(28-12)15(24)10-22-18(25)14-5-3-2-4-13(14)17(21-22)19(26)27/h2-7H,8-10H2,1H3,(H,20,23)(H,26,27)