ethyl 4-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]thiomorpholine-3-carboxylate CAS Name: 4-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-methylpiperidino)-3-nitro-benzoyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-3-28-20(25)18-13-29-11-10-22(18)19(24)15-4-5-16(17(12-15)23(26)27)21-8-6-14(2)7-9-21/h4-5,12,14,18H,3,6-11,13H2,1-2H3