ethyl 4-[5-[[(2S)-1-ethanoylsulfanyl-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]thiophen-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[(2S)-1-ethanoylsulfanyl-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]thiophen-2-yl]benzoate Openeye Name: ethyl 4-[5-[[(1S)-1-(acetylsulfanylmethyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]-2-thienyl]benzoate CAS Name: 4-[5-[[(2S)-1-(acetylthio)-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-2-thiophenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(2S)-1-acetylsulfanyl-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]thiophen-2-yl]benzoate Traditional Name: 4-[5-[[(1S)-1-[(acetylthio)methyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]-2-thienyl]benzoic acid ethyl ester Formula: C26H26N2O5S3 MolecularWeight: 542.69004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N[C@@H](CC3=CNC4=CC=CC=C43)CSC(=O)C

InChI

InChI=1S/C26H26N2O5S3/c1-3-33-26(30)19-10-8-18(9-11-19)24-12-13-25(35-24)36(31,32)28-21(16-34-17(2)29)14-20-15-27-23-7-5-4-6-22(20)23/h4-13,15,21,27-28H,3,14,16H2,1-2H3/t21-/m0/s1