methyl (Z)-7-[(1R,2S,3R)-2-(butylcarbamothioyloxymethyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (Z)-7-[(1R,2S,3R)-2-(butylcarbamothioyloxymethyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (Z)-7-[(1R,2S,3R)-2-(butylcarbamothioyloxymethyl)-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2S,3R)-2-[[butylamino(sulfanylidene)methoxy]methyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (Z)-7-[(1R,2S,3R)-2-(butylcarbamothioyloxymethyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2S,3R)-2-(butylthiocarbamoyloxymethyl)-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C19H31NO5S MolecularWeight: 385.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)OCC1C(CC(=O)C1CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCNC(=S)OC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O

InChI

InChI=1S/C19H31NO5S/c1-3-4-11-20-19(26)25-13-15-14(16(21)12-17(15)22)9-7-5-6-8-10-18(23)24-2/h5,7,14-15,17,22H,3-4,6,8-13H2,1-2H3,(H,20,26)/b7-5-/t14-,15-,17-/m1/s1