ethyl 6-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-6-keto-hexanoic acid ethyl ester Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-2-26-19(25)12-7-6-11-18(24)22-15-8-16-23(22)20(27)21-14-13-17-9-4-3-5-10-17/h9H,2-8,10-16H2,1H3,(H,21,27)