ethyl 4-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-methoxy-4-oxo-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methoxy-1,4-dioxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxy-4-oxobutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-methoxy-butanoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C15H18N2O5S/c1-3-22-14(20)10-4-6-11(7-5-10)16-15(23)17-12(18)8-9-13(19)21-2/h4-7H,3,8-9H2,1-2H3,(H2,16,17,18,23)