6-[(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-[(2,5-dimethylphenyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[(2,5-dimethylphenyl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S[C@@H](C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C19H19NO3S/c1-11-4-5-12(2)17(8-11)24-13(3)19(22)14-6-7-16-15(9-14)20-18(21)10-23-16/h4-9,13H,10H2,1-3H3,(H,20,21)/t13-/m0/s1