2-methoxyethyl 4-oxidanylidene-4-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[(2-allyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[(2-prop-2-enoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2-allyloxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1OCC=C

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1OCC=C

InChI

InChI=1S/C18H23N3O6S/c1-3-10-26-14-7-5-4-6-13(14)17(24)20-21-18(28)19-15(22)8-9-16(23)27-12-11-25-2/h3-7H,1,8-12H2,2H3,(H,20,24)(H2,19,21,22,28)