[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-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] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-2-21(10-16(23)20-9-13-4-3-7-29-13)17(24)11-28-18(25)14-6-5-12(22(26)27)8-15(14)19/h3-8H,2,9-11H2,1H3,(H,20,23)