3-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H16ClN3O4S/c1-2-21(9-11-7-8-14(19)27-11)15(23)10-22-17(24)13-6-4-3-5-12(13)16(20-22)18(25)26/h3-8H,2,9-10H2,1H3,(H,25,26)