methyl 7-[(2R)-2-[2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)ethylcarbamothioyloxymethyl]pyrrolidin-1-yl]hept-5-ynoate

Systemtic Name: methyl 7-[(2R)-2-[2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)ethylcarbamothioyloxymethyl]pyrrolidin-1-yl]hept-5-ynoate Openeye Name: methyl 7-[(2R)-2-[2-(6-oxocyclohexa-1,3-dien-1-yl)ethylcarbamothioyloxymethyl]pyrrolidin-1-yl]hept-5-ynoate CAS Name: 7-[(2R)-2-[[[2-(6-oxo-1-cyclohexa-1,3-dienyl)ethylamino]-sulfanylidenemethoxy]methyl]-1-pyrrolidinyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[(2R)-2-[2-(6-oxocyclohexa-1,3-dien-1-yl)ethylcarbamothioyloxymethyl]pyrrolidin-1-yl]hept-5-ynoate Traditional Name: 7-[(2R)-2-[2-(6-ketocyclohexa-1,3-dien-1-yl)ethylthiocarbamoyloxymethyl]pyrrolidino]hept-5-ynoic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CCN1CCCC1COC(=S)NCCC2=CC=CCC2=O

Isomeric SMILES

COC(=O)CCCC#CCN1CCC[C@@H]1COC(=S)NCCC2=CC=CCC2=O

InChI

InChI=1S/C22H30N2O4S/c1-27-21(26)12-4-2-3-7-15-24-16-8-10-19(24)17-28-22(29)23-14-13-18-9-5-6-11-20(18)25/h5-6,9,19H,2,4,8,10-17H2,1H3,(H,23,29)/t19-/m1/s1