[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

InChI

InChI=1S/C18H23NO4S/c1-4-7-12(2)19-16(20)10-22-18(21)17-14(11-24-3)13-8-5-6-9-15(13)23-17/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20)/t12-/m0/s1