propyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: propyl 2-[[4-chloranyl-2-fluoranyl-5-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 2-[[4-chloro-2-fluoro-5-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-5-[(1-methoxy-1-oxopropan-2-yl)thio]-N-(3-pyridinylmethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[4-chloro-2-fluoro-5-(1-methoxy-1-oxopropan-2-yl)sulfanylphenyl]-(pyridin-3-ylmethyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-1-methyl-ethyl)thio]phenyl]-(3-pyridylmethyl)carbamoyl]cyclohexene-1-carboxylic acid propyl ester Formula: C27H30ClFN2O5S MolecularWeight: 549.053903

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)SC(C)C(=O)OC

Isomeric SMILES

CCCOC(=O)C1=C(CCCC1)C(=O)N(CC2=CN=CC=C2)C3=CC(=C(C=C3F)Cl)SC(C)C(=O)OC

InChI

InChI=1S/C27H30ClFN2O5S/c1-4-12-36-27(34)20-10-6-5-9-19(20)25(32)31(16-18-8-7-11-30-15-18)23-14-24(21(28)13-22(23)29)37-17(2)26(33)35-3/h7-8,11,13-15,17H,4-6,9-10,12,16H2,1-3H3