N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide Traditional Name: 2-(benzylthio)-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]acetamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-12-18(22)20-15-9-14(7-8-16(15)23-12)19-17(21)11-24-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22)/t12-/m0/s1