ethyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(2-methylallyloxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(2-methylallyloxy)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC(=C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC(=C)C

InChI

InChI=1S/C17H22N2O4S/c1-4-22-16(21)9-8-15(20)19-17(24)18-13-6-5-7-14(10-13)23-11-12(2)3/h5-7,10H,2,4,8-9,11H2,1,3H3,(H2,18,19,20,24)