[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H23N3O8S/c1-4-22(11-18(24)21-10-13-6-5-7-32-13)19(25)12-31-20(26)14-8-16(29-2)17(30-3)9-15(14)23(27)28/h5-9H,4,10-12H2,1-3H3,(H,21,24)