2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C19H14N3O5S- MolecularWeight: 396.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-])OCO2

InChI

InChI=1S/C19H15N3O5S/c1-10(23)12-6-15-16(27-9-26-15)7-14(12)20-17(24)8-28-19-21-13-5-3-2-4-11(13)18(25)22-19/h2-7H,8-9H2,1H3,(H,20,24)(H,21,22,25)/p-1