2-methoxyethyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[2-(allylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(allylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

InChI

InChI=1S/C18H23N3O5S/c1-3-10-19-17(24)13-6-4-5-7-14(13)20-18(27)21-15(22)8-9-16(23)26-12-11-25-2/h3-7H,1,8-12H2,2H3,(H,19,24)(H2,20,21,22,27)