ethyl (E)-4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-ethoxypropanoylamino)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C12H19N3O5S/c1-3-19-8-7-10(17)14-15-12(21)13-9(16)5-6-11(18)20-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,14,17)(H2,13,15,16,21)/b6-5+