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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[2-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2CCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2CCCO2

InChI

InChI=1S/C19H23N3O5S/c1-2-26-17(24)10-9-16(23)22-19(28)21-15-8-4-3-7-14(15)18(25)20-12-13-6-5-11-27-13/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,25)(H2,21,22,23,28)/b10-9+