ethyl 4-[[5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C27H26N2O5S2/c1-4-34-27(31)20-9-11-22(12-10-20)28-26(30)25-16-21-15-23(13-14-24(21)35-25)29(36(3,32)33)17-19-7-5-18(2)6-8-19/h5-16H,4,17H2,1-3H3,(H,28,30)