ethyl (E)-4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-bromo-3-chlorophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H12BrClN2O3S MolecularWeight: 391.66798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrClN2O3S/c1-2-20-12(19)6-5-11(18)17-13(21)16-8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3,(H2,16,17,18,21)/b6-5+