prop-2-enyl (2R,3S)-2-[3-(7-bromanyl-6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]-3-methoxy-piperidine-1-carboxylate

Systemtic Name: prop-2-enyl (2R,3S)-2-[3-(7-bromanyl-6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]-3-methoxy-piperidine-1-carboxylate Openeye Name: allyl (2R,3S)-2-[3-(7-bromo-6-methylsulfanyl-4-oxo-quinazolin-3-yl)-2-oxo-propyl]-3-methoxy-piperidine-1-carboxylate CAS Name: (2R,3S)-2-[3-[7-bromo-6-(methylthio)-4-oxo-3-quinazolinyl]-2-oxopropyl]-3-methoxy-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R,3S)-2-[3-(7-bromo-6-methylsulfanyl-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-methoxypiperidine-1-carboxylate Traditional Name: (2R,3S)-2-[3-[7-bromo-4-keto-6-(methylthio)quinazolin-3-yl]-2-keto-propyl]-3-methoxy-piperidine-1-carboxylic acid allyl ester Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SC)Br)C(=O)OCC=C

Isomeric SMILES

CO[C@H]1CCCN([C@@H]1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SC)Br)C(=O)OCC=C

InChI

InChI=1S/C22H26BrN3O5S/c1-4-8-31-22(29)26-7-5-6-19(30-2)18(26)9-14(27)12-25-13-24-17-11-16(23)20(32-3)10-15(17)21(25)28/h4,10-11,13,18-19H,1,5-9,12H2,2-3H3/t18-,19+/m1/s1