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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6S/c1-27-12-13-30-21(26)11-10-20(25)24-22(31)23-17-6-5-9-19(16-17)29-15-14-28-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H2,23,24,25,31)