methyl (2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2S)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: (2S)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)OC

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

InChI

InChI=1S/C16H19BrN2O3S/c1-9(2)8-19-14(20)12-7-11(17)5-6-13(12)18-16(19)23-10(3)15(21)22-4/h5-7,9-10H,8H2,1-4H3/t10-/m0/s1