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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(methylthio)-3-nitro-benzoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S2/c1-8-9(2)25-15(13(8)16(20)23-3)17-14(19)10-5-6-12(24-4)11(7-10)18(21)22/h5-7H,1-4H3,(H,17,19)