[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1R,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-[[(1R,2S)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)OCC)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)C1=C(C2=C(O1)C=CC(=C2)OCC)C

InChI

InChI=1S/C21H27NO7/c1-6-12(3)18(20(24)26-5)22-17(23)11-28-21(25)19-13(4)15-10-14(27-7-2)8-9-16(15)29-19/h8-10,12,18H,6-7,11H2,1-5H3,(H,22,23)/t12-,18+/m0/s1