(2S)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-10-17(22)20-15-9-12(3-8-16(15)26-10)19-18(23)11(2)27-14-6-4-13(5-7-14)21(24)25/h3-11H,1-2H3,(H,19,23)(H,20,22)/t10-,11-/m0/s1