[(2R)-4-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [(2R)-4-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-yl-methanone Openeye Name: [(2R)-4-(4-methylsulfanyl-3-nitro-benzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholino-methanone CAS Name: [(2R)-4-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-morpholinyl)methanone IUPAC Name: [(2R)-4-(4-methylsulfanyl-3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone Traditional Name: [(2R)-4-[4-(methylthio)-3-nitro-benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholino-methanone Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-31-19-7-6-14(12-16(19)24(27)28)20(25)23-13-18(21(26)22-8-10-29-11-9-22)30-17-5-3-2-4-15(17)23/h2-7,12,18H,8-11,13H2,1H3/t18-/m1/s1