2-methoxyethyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-methoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(p-anisoylamino)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-23-9-10-25-14(21)8-7-13(20)17-16(26)19-18-15(22)11-3-5-12(24-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,22)(H2,17,19,20,26)