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

Systemtic Name: 2-methoxyethyl 4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(veratroylamino)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7S/c1-24-8-9-27-15(22)7-6-14(21)18-17(28)20-19-16(23)11-4-5-12(25-2)13(10-11)26-3/h4-5,10H,6-9H2,1-3H3,(H,19,23)(H2,18,20,21,28)