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

Systemtic Name: methyl 4-oxidanylidene-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-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=C1OCC=C

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1OCC=C

InChI

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