2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C16H16N3O5S2- MolecularWeight: 394.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C16H17N3O5S2/c1-4-10-8(2)26-14(13(10)15(21)24-3)18-16(25)17-11-7-9(19(22)23)5-6-12(11)20/h5-7,20H,4H2,1-3H3,(H2,17,18,25)/p-1