ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-tosylprolyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H24N2O5S2/c1-3-30-23(27)20-17-7-4-5-9-19(17)31-22(20)24-21(26)18-8-6-14-25(18)32(28,29)16-12-10-15(2)11-13-16/h4-5,7,9-13,18H,3,6,8,14H2,1-2H3,(H,24,26)