[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic 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] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17Cl3N2O4S MolecularWeight: 463.76258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl

InChI

InChI=1S/C18H17Cl3N2O4S/c1-2-23(9-14(24)22-8-11-4-3-7-28-11)15(25)10-27-18(26)16-12(19)5-6-13(20)17(16)21/h3-7H,2,8-10H2,1H3,(H,22,24)