ethyl (E)-4-oxidanylidene-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=CC=C1)OCC2CCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=CC=C1)OCC2CCCO2

InChI

InChI=1S/C18H22N2O5S/c1-2-23-17(22)9-8-16(21)20-18(26)19-13-5-3-6-14(11-13)25-12-15-7-4-10-24-15/h3,5-6,8-9,11,15H,2,4,7,10,12H2,1H3,(H2,19,20,21,26)/b9-8+