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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-5-14(4)19-18(23)20-16(21)11-24-17(22)8-9-25-15-7-6-12(2)13(3)10-15/h6-7,10,14H,5,8-9,11H2,1-4H3,(H2,19,20,21,23)/t14-/m0/s1