ethyl (E)-4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C16H14ClN3O4S2/c1-2-24-12(22)8-7-11(21)18-16(25)20-19-15(23)14-13(17)9-5-3-4-6-10(9)26-14/h3-8H,2H2,1H3,(H,19,23)(H2,18,20,21,25)/b8-7+