methyl 3-[[2-(2-formamido-2,3-dihydro-1H-inden-5-yl)-2-phenylsulfanyl-ethanoyl]amino]propanoate

Systemtic Name: methyl 3-[[2-(2-formamido-2,3-dihydro-1H-inden-5-yl)-2-phenylsulfanyl-ethanoyl]amino]propanoate Openeye Name: methyl 3-[[2-(2-formamidoindan-5-yl)-2-phenylsulfanyl-acetyl]amino]propanoate CAS Name: 3-[[2-(2-formamido-2,3-dihydro-1H-inden-5-yl)-1-oxo-2-(phenylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-formamido-2,3-dihydro-1H-inden-5-yl)-2-phenylsulfanylacetyl]amino]propanoate Traditional Name: 3-[[2-(2-formamidoindan-5-yl)-2-(phenylthio)acetyl]amino]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C(C1=CC2=C(CC(C2)NC=O)C=C1)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCNC(=O)C(C1=CC2=C(CC(C2)NC=O)C=C1)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-28-20(26)9-10-23-22(27)21(29-19-5-3-2-4-6-19)16-8-7-15-12-18(24-14-25)13-17(15)11-16/h2-8,11,14,18,21H,9-10,12-13H2,1H3,(H,23,27)(H,24,25)