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

Systemtic Name: ethyl (E)-4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-methyl-3-nitrophenyl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-3-22-13(19)7-6-12(18)16-14(23)15-10-5-4-9(2)11(8-10)17(20)21/h4-8H,3H2,1-2H3,(H2,15,16,18,23)/b7-6+