2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-olate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-10(16(22)19-11-6-7-14-15(8-11)25-9-24-14)26-18-20-13-5-3-2-4-12(13)17(23)21-18/h2-8,10H,9H2,1H3,(H,19,22)(H,20,21,23)/p-1/t10-/m1/s1