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

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O4S/c1-14(24)22-12-16-9-10-20(28-16)19(25)13-27-21(26)8-4-5-15-11-23-18-7-3-2-6-17(15)18/h2-3,6-7,9-11,23H,4-5,8,12-13H2,1H3,(H,22,24)