ethyl 5-ethyl-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(methylthio)-3-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H18N2O5S2/c1-4-11-9-12(17(21)24-5-2)16(26-11)18-15(20)10-6-7-14(25-3)13(8-10)19(22)23/h6-9H,4-5H2,1-3H3,(H,18,20)