methyl 4-oxidanylidene-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2CCCO2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2CCCO2

InChI

InChI=1S/C17H22N2O5S/c1-22-16(21)8-7-15(20)19-17(25)18-12-4-2-5-13(10-12)24-11-14-6-3-9-23-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,18,19,20,25)