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

Systemtic Name: methyl 2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-11(2)18-14(21)10-25-17-19-13-8-6-5-7-12(13)16(23)20(17)9-15(22)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)/t11-/m0/s1