[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-3-23-21(24)15(2)26-22(25)20-18(17-11-7-8-12-19(17)27-20)14-28-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1