methyl 4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C18H15N3O3S/c1-24-18(23)12-6-8-14(9-7-12)20-16(22)11-25-17-15-5-3-2-4-13(15)10-19-21-17/h2-10H,11H2,1H3,(H,20,22)