ethyl 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2-thienylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(2-thienylsulfonylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S3/c1-2-28-21(25)15-5-7-16(8-6-15)22-19(24)14-30-18-11-9-17(10-12-18)23-31(26,27)20-4-3-13-29-20/h3-13,23H,2,14H2,1H3,(H,22,24)