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

Systemtic Name: 3-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H15N3O5S/c1-10(22)19-8-11-6-7-15(27-11)14(23)9-21-17(24)13-5-3-2-4-12(13)16(20-21)18(25)26/h2-7H,8-9H2,1H3,(H,19,22)(H,25,26)