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

Systemtic Name: ethyl (E)-4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(hexanoylamino)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(hexanoylamino)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(caproylamino)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4S/c1-3-5-6-7-11(18)15-16-13(21)14-10(17)8-9-12(19)20-4-2/h8-9H,3-7H2,1-2H3,(H,15,18)(H2,14,16,17,21)/b9-8+