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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[(2-thenoylamino)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC=CS1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=CC=CS1

InChI

InChI=1S/C12H13N3O4S2/c1-2-19-10(17)6-5-9(16)13-12(20)15-14-11(18)8-4-3-7-21-8/h3-7H,2H2,1H3,(H,14,18)(H2,13,15,16,20)/b6-5+