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

Systemtic Name: dimethyl 2-[(2-propan-2-ylsulfanyl-1H-indol-3-yl)methyl]propanedioate Openeye Name: dimethyl 2-[(2-isopropylsulfanyl-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-[[2-(propan-2-ylthio)-1H-indol-3-yl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-propan-2-ylsulfanyl-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-[[2-(isopropylthio)-1H-indol-3-yl]methyl]malonic acid dimethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C2=CC=CC=C2N1)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)SC1=C(C2=CC=CC=C2N1)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-10(2)23-15-12(11-7-5-6-8-14(11)18-15)9-13(16(19)21-3)17(20)22-4/h5-8,10,13,18H,9H2,1-4H3