ethyl 6-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl 6-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: 6-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: 5-keto-6-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-3-25-16(22)11-8-26-13(15(21)18-11)7-14(20)17-10-5-4-9(2)12(6-10)19(23)24/h4-6,11,13H,3,7-8H2,1-2H3,(H,17,20)(H,18,21)