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

Systemtic Name: methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(2-methylallyloxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(2-methylallyloxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(=C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-11(2)10-22-13-6-4-5-12(9-13)17-16(23)18-14(19)7-8-15(20)21-3/h4-6,9H,1,7-8,10H2,2-3H3,(H2,17,18,19,23)