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

Systemtic Name: ethyl (E)-4-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-chloro-3-nitro-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-chloro-3-nitrophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-chloro-3-nitro-phenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C13H12ClN3O5S MolecularWeight: 357.76948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O5S/c1-2-22-12(19)6-5-11(18)16-13(23)15-8-3-4-9(14)10(7-8)17(20)21/h3-7H,2H2,1H3,(H2,15,16,18,23)/b6-5+