2-methoxyethyl 4-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C18H25N3O6S/c1-3-13-4-6-14(7-5-13)27-12-16(23)20-21-18(28)19-15(22)8-9-17(24)26-11-10-25-2/h4-7H,3,8-12H2,1-2H3,(H,20,23)(H2,19,21,22,28)