methyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-allyloxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-3-9-21-12-6-4-5-11(10-12)16-15(22)17-13(18)7-8-14(19)20-2/h3-6,10H,1,7-9H2,2H3,(H2,16,17,18,22)