2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: 2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: 2-[2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetate IUPAC Name: 2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]quinazolin-3-yl]acetate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-3-10(2)17-13(20)9-24-16-18-12-7-5-4-6-11(12)15(23)19(16)8-14(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)(H,21,22)/p-1/t10-/m0/s1