ethyl (E)-4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(2,4-dichlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(2,4-dichlorobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(2,4-dichlorobenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H13Cl2N3O4S MolecularWeight: 390.24172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl2N3O4S/c1-2-23-12(21)6-5-11(20)17-14(24)19-18-13(22)9-4-3-8(15)7-10(9)16/h3-7H,2H2,1H3,(H,18,22)(H2,17,19,20,24)/b6-5+