[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H21NO3S/c1-13-10-17(14(2)25-13)19(22)12-24-20(23)9-5-6-15-11-21-18-8-4-3-7-16(15)18/h3-4,7-8,10-11,21H,5-6,9,12H2,1-2H3