2-methoxyethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-butoxy-3-methoxyphenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butoxy-3-methoxy-benzyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCOC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)CCC(=O)OCCOC)OC

InChI

InChI=1S/C20H30N2O6S/c1-4-5-10-27-16-7-6-15(13-17(16)26-3)14-21-20(29)22-18(23)8-9-19(24)28-12-11-25-2/h6-7,13H,4-5,8-12,14H2,1-3H3,(H2,21,22,23,29)