ethyl 1-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O4S/c1-2-27-18(24)12-4-3-9-22(10-12)16-15(23(25)26)17(21-11-20-16)28-14-7-5-13(19)6-8-14/h5-8,11-12H,2-4,9-10H2,1H3