[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-11-8-14(12(2)27-11)17(21)10-26-18(22)13-4-5-15(19-6-7-25-3)16(9-13)20(23)24/h4-5,8-9,19H,6-7,10H2,1-3H3