methyl (2S)-4-[2-(3-methyl-4-nitro-phenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2S)-4-[2-(3-methyl-4-nitro-phenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-[2-(3-methyl-4-nitro-benzoyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2S)-4-[2-[(3-methyl-4-nitrophenyl)-oxomethoxy]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2S)-4-[2-(3-methyl-4-nitro-benzoyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCSC(C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCS[C@@H](C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7S/c1-10-7-11(3-4-12(10)18(22)23)15(20)25-9-14(19)17-5-6-26-13(8-17)16(21)24-2/h3-4,7,13H,5-6,8-9H2,1-2H3/t13-/m0/s1