[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-morpholino-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [(2S)-1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-morpholino-ethyl] ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)O[C@@H](C)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S2/c1-11-10-28-18(19-11)29-15-4-3-13(9-14(15)21(24)25)17(23)27-12(2)16(22)20-5-7-26-8-6-20/h3-4,9-10,12H,5-8H2,1-2H3/t12-/m0/s1