3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[methyl(2-thenyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

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