methyl 4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-4-ethoxy-4-oxobut-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-4-ethoxy-4-keto-but-2-enoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H16N2O5S/c1-3-22-13(19)9-8-12(18)17-15(23)16-11-6-4-10(5-7-11)14(20)21-2/h4-9H,3H2,1-2H3,(H2,16,17,18,23)/b9-8+