[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

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