2-methoxyethyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C18H25N3O8S/c1-25-7-8-29-15(23)6-5-14(22)19-18(30)21-20-17(24)11-9-12(26-2)16(28-4)13(10-11)27-3/h9-10H,5-8H2,1-4H3,(H,20,24)(H2,19,21,22,30)