methyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-18-10-5-3-9(4-6-10)14-13(20)15-11(16)7-8-12(17)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15,16,20)