[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S/c1-15(27-17-10-6-3-7-11-17)19(24)26-14-18(23)22-20(25)21-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,15H,2,4-5,9,12-14H2,1H3,(H2,21,22,23,25)/t15-/m0/s1