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

Systemtic Name: ethyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[(4-chlorobenzyl)-mesyl-amino]benzothiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C26H23ClN2O5S2 MolecularWeight: 543.05422

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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)Cl)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)Cl)S(=O)(=O)C

InChI

InChI=1S/C26H23ClN2O5S2/c1-3-34-26(31)18-6-10-21(11-7-18)28-25(30)24-15-19-14-22(12-13-23(19)35-24)29(36(2,32)33)16-17-4-8-20(27)9-5-17/h4-15H,3,16H2,1-2H3,(H,28,30)