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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2CCCO2

InChI

InChI=1S/C20H27N3O6S/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/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,21,26)(H2,22,23,24,30)