3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]peroxysulfanylamino]propanoate

Systemtic Name: 3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]peroxysulfanylamino]propanoate Openeye Name: 3-(1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]peroxysulfanylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]dioxythio]amino]propanoate IUPAC Name: 3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]peroxysulfanylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[[5-[2-(p-tolyl)ethynyl]-2-thienyl]peroxythio]amino]propionate Formula: C24H19N2O4S2- MolecularWeight: 463.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)OOSNC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)OOSNC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)29-30-32-26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/p-1