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

Systemtic Name: 6-[(2S)-2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C25H18ClN3O4S MolecularWeight: 491.94612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl

InChI

InChI=1S/C25H18ClN3O4S/c1-14(23(31)15-10-11-21-19(12-15)27-22(30)13-33-21)34-25-28-18-8-4-2-6-16(18)24(32)29(25)20-9-5-3-7-17(20)26/h2-12,14H,13H2,1H3,(H,27,30)/t14-/m0/s1