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

Systemtic Name: ethyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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