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

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-31-16-20-19-9-5-6-10-21(19)30-23(20)24(28)29-15-22(27)25-18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,25,27)