methyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2R)-2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=S)NCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@H](C)C(=O)NNC(=S)NCCCC(=O)OC)C

InChI

InChI=1S/C17H25N3O4S/c1-11-7-5-8-14(12(11)2)24-13(3)16(22)19-20-17(25)18-10-6-9-15(21)23-4/h5,7-8,13H,6,9-10H2,1-4H3,(H,19,22)(H2,18,20,25)/t13-/m1/s1