methyl 2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphthalazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(2-anilino-2-oxo-ethyl)sulfanylphthalazin-1-yl]acetate CAS Name: 2-[4-[(2-anilino-2-oxoethyl)thio]-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-anilino-2-oxoethyl)sulfanylphthalazin-1-yl]acetate Traditional Name: 2-[4-[(2-anilino-2-keto-ethyl)thio]phthalazin-1-yl]acetic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(C2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NN=C(C2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-25-18(24)11-16-14-9-5-6-10-15(14)19(22-21-16)26-12-17(23)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,23)