ethyl 3-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetyl]amino]benzoic acid ethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H24N4O4S/c1-2-33-25(31)19-9-8-10-21(15-19)27-23(30)18-34(32)17-20-16-26-29(22-11-4-3-5-12-22)24(20)28-13-6-7-14-28/h3-16H,2,17-18H2,1H3,(H,27,30)