2-methoxyethyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5S/c1-24-11-12-25-16(23)10-9-14(21)18-17(26)20-19-15(22)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,22)(H2,18,20,21,26)