methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-4-keto-butyric acid methyl ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-23-16(22)9-8-15(21)19-12-5-13-20(19)17(24)18-11-10-14-6-3-2-4-7-14/h6H,2-5,7-13H2,1H3,(H,18,24)