dimethyl 5-azanyl-3-[3-(1H-indol-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(1H-indol-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(1H-indol-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(1H-indol-3-yl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(1H-indol-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(1H-indol-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC)N

InChI

InChI=1S/C20H20N2O6S/c1-26-19(24)16-13(17(20(25)27-2)29-18(16)21)10-28-15(23)8-7-11-9-22-14-6-4-3-5-12(11)14/h3-6,9,22H,7-8,10,21H2,1-2H3