methyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-19-9-4-5-11(20-2)10(8-9)15-14(22)16-12(17)6-7-13(18)21-3/h4-5,8H,6-7H2,1-3H3,(H2,15,16,17,22)