ethyl (E)-4-oxidanylidene-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1OCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1OCCOC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5S/c1-2-26-20(25)13-12-19(24)23-21(29)22-17-10-6-7-11-18(17)28-15-14-27-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H2,22,23,24,29)/b13-12+