methyl 3-[[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C17H17N3O6S/c1-4-13-9(2)5-14(27-13)16(22)19-18-15(21)10-6-11(17(23)26-3)8-12(7-10)20(24)25/h5-8H,4H2,1-3H3,(H,18,21)(H,19,22)