dimethyl 2-[(2-phenylsulfanyl-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(2-phenylsulfanyl-1H-indol-3-yl)methyl]propanedioate Openeye Name: dimethyl 2-[(2-phenylsulfanyl-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-[[2-(phenylthio)-1H-indol-3-yl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-phenylsulfanyl-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-[[2-(phenylthio)-1H-indol-3-yl]methyl]malonic acid dimethyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H19NO4S/c1-24-19(22)16(20(23)25-2)12-15-14-10-6-7-11-17(14)21-18(15)26-13-8-4-3-5-9-13/h3-11,16,21H,12H2,1-2H3