methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-indan-5-ylsulfanylacetyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(indan-5-ylthio)acetyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H23NO3S/c1-22(13-15-6-8-17(9-7-15)21(24)25-2)20(23)14-26-19-11-10-16-4-3-5-18(16)12-19/h6-12H,3-5,13-14H2,1-2H3