methyl 4-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C24H20N4O3S2 MolecularWeight: 476.5706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

InChI

InChI=1S/C24H20N4O3S2/c1-14-12-18(15(2)27(14)17-10-8-16(9-11-17)22(30)31-3)20(29)13-32-23-25-26-24-28(23)19-6-4-5-7-21(19)33-24/h4-12H,13H2,1-3H3