6-[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[(4,8-dimethyl-2-quinolyl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@@H](C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H20N2O3S/c1-12-5-4-6-16-13(2)9-20(24-21(12)16)28-14(3)22(26)15-7-8-18-17(10-15)23-19(25)11-27-18/h4-10,14H,11H2,1-3H3,(H,23,25)/t14-/m0/s1