2-methoxyethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)C

InChI

InChI=1S/C19H27N3O6S/c1-12-5-6-15(11-13(12)2)28-14(3)18(25)21-22-19(29)20-16(23)7-8-17(24)27-10-9-26-4/h5-6,11,14H,7-10H2,1-4H3,(H,21,25)(H2,20,22,23,29)