2-methoxyethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C20H23N3O6S/c1-27-10-11-29-18(25)8-7-17(24)23-20(30)22-15-5-2-4-14(12-15)19(26)21-13-16-6-3-9-28-16/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,21,26)(H2,22,23,24,30)