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

Systemtic Name: phenethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-26-16-8-9-18(27-2)17(14-16)22-21(29)23-19(24)10-11-20(25)28-13-12-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,29)