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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-(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(=C1)C(=O)NCC2CCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

InChI

InChI=1S/C19H23N3O5S/c1-2-26-17(24)9-8-16(23)22-19(28)21-14-6-3-5-13(11-14)18(25)20-12-15-7-4-10-27-15/h3,5-6,8-9,11,15H,2,4,7,10,12H2,1H3,(H,20,25)(H2,21,22,23,28)/b9-8+