methyl 3-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-4-14(2)23-19(24)17-10-5-6-11-18(17)22-21(23)27-13-15-8-7-9-16(12-15)20(25)26-3/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1