ethyl 2-[3-(ethanethioylamino)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(ethanethioylamino)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(ethanethioylamino)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[4-oxo-3-(1-sulfanylideneethylamino)-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(ethanethioylamino)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-(thioacetylamino)phthalazin-1-yl]acetic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)NC(=S)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)NC(=S)C

InChI

InChI=1S/C14H15N3O3S/c1-3-20-13(18)8-12-10-6-4-5-7-11(10)14(19)17(16-12)15-9(2)21/h4-7H,3,8H2,1-2H3,(H,15,21)