methyl 5-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-5-oxo-pentanoate CAS Name: 5-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-5-oxopentanoate Traditional Name: 5-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-5-keto-valeric acid methyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCN1C(=S)NCCC2=CCCCC2

Isomeric SMILES

COC(=O)CCCC(=O)N1CCCN1C(=S)NCCC2=CCCCC2

InChI

InChI=1S/C18H29N3O3S/c1-24-17(23)10-5-9-16(22)20-13-6-14-21(20)18(25)19-12-11-15-7-3-2-4-8-15/h7H,2-6,8-14H2,1H3,(H,19,25)