ethyl (E)-4-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCOCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCOCC2

InChI

InChI=1S/C18H21N3O5S/c1-2-26-16(23)8-7-15(22)20-18(27)19-14-6-4-3-5-13(14)17(24)21-9-11-25-12-10-21/h3-8H,2,9-12H2,1H3,(H2,19,20,22,27)/b8-7+