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

Systemtic Name: ethyl 6-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl 6-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: 6-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: 5-keto-6-[2-keto-2-(2-methyl-4-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=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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