ethyl 4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-3-25-16(21)14-10-26-7-6-18(14)9-15(20)17-12-5-4-11(24-2)8-13(12)19(22)23/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,17,20)