[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCSC1=CC=C(C=C1)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)CCSC1=CC=C(C=C1)C

InChI

InChI=1S/C17H24N2O4S/c1-4-13(3)18-17(22)19-15(20)11-23-16(21)9-10-24-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H2,18,19,20,22)/t13-/m0/s1