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

Systemtic Name: ethyl (E)-4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-iodophenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-iodophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-iodophenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H13IN2O3S MolecularWeight: 404.22339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)I

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)I

InChI

InChI=1S/C13H13IN2O3S/c1-2-19-12(18)8-7-11(17)16-13(20)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H2,15,16,17,20)/b8-7+