[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)N(C)CC2=CC=CS2)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)N(C)CC2=CC=CS2)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-13(2)20(25)22-16-10-18(28-5)17(27-4)9-15(16)21(26)29-12-19(24)23(3)11-14-7-6-8-30-14/h6-10,13H,11-12H2,1-5H3,(H,22,25)