propan-2-yl 2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]acetic acid isopropyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC(C)C)O

InChI

InChI=1S/C16H19BrN2O4S/c1-9(2)23-14(21)8-24-16-18-13-5-4-11(17)6-12(13)15(22)19(16)7-10(3)20/h4-6,9-10,20H,7-8H2,1-3H3/t10-/m0/s1