methyl 4-ethyl-5-methyl-2-[(5-nitro-2-oxidanyl-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(5-nitro-2-oxidanyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(2-hydroxy-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-hydroxy-5-nitro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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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)