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

Systemtic Name: methyl 4,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-hydroxy-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-hydroxy-5-nitrophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-5-nitro-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C15H15N3O5S2/c1-7-8(2)25-13(12(7)14(20)23-3)17-15(24)16-10-6-9(18(21)22)4-5-11(10)19/h4-6,19H,1-3H3,(H2,16,17,24)