2-[2-[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl]thio]nicotinate Formula: C18H24NO4S- MolecularWeight: 350.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C(C)C

InChI

InChI=1S/C18H25NO4S/c1-11(2)13-7-6-12(3)9-15(13)23-16(20)10-24-17-14(18(21)22)5-4-8-19-17/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,21,22)/p-1/t12-,13+,15+/m0/s1