6-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H19N3O4S/c1-3-10-25-21(28)15-6-4-5-7-16(15)24-22(25)30-13(2)20(27)14-8-9-18-17(11-14)23-19(26)12-29-18/h3-9,11,13H,1,10,12H2,2H3,(H,23,26)/t13-/m0/s1