2-methoxyethyl 4-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C17H23N3O6S/c1-12-4-3-5-13(10-12)26-11-15(22)19-20-17(27)18-14(21)6-7-16(23)25-9-8-24-2/h3-5,10H,6-9,11H2,1-2H3,(H,19,22)(H2,18,20,21,27)