diethyl 2-acetamido-2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(ethylthio)-1H-indol-3-yl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[[2-(ethylthio)-1H-indol-3-yl]methyl]malonic acid diethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-5-26-18(24)20(22-13(4)23,19(25)27-6-2)12-15-14-10-8-9-11-16(14)21-17(15)28-7-3/h8-11,21H,5-7,12H2,1-4H3,(H,22,23)