2-methoxyethyl 4-[(4-hydroxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(4-hydroxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-hydroxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-hydroxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-hydroxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)O

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)O

InChI

InChI=1S/C14H18N2O5S/c1-20-8-9-21-13(19)7-6-12(18)16-14(22)15-10-2-4-11(17)5-3-10/h2-5,17H,6-9H2,1H3,(H2,15,16,18,22)