methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2S)-2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)O[C@@H](C)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H25N3O5S/c1-4-24-13-7-9-14(10-8-13)25-12(2)16(22)19-20-17(26)18-11-5-6-15(21)23-3/h7-10,12H,4-6,11H2,1-3H3,(H,19,22)(H2,18,20,26)/t12-/m0/s1