methyl 4-methyl-3-[3-(thiophen-2-ylsulfonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(thiophen-2-ylsulfonylamino)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(2-thienylsulfonylamino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(thiophen-2-ylsulfonylamino)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(thiophen-2-ylsulfonylamino)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(2-thienylsulfonylamino)propanoylamino]benzoic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H18N2O5S2/c1-11-5-6-12(16(20)23-2)10-13(11)18-14(19)7-8-17-25(21,22)15-4-3-9-24-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,18,19)