methyl 5-[2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3,4-dichlorobenzyl)-mesyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H18Cl2N2O5S2 MolecularWeight: 501.40332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H18Cl2N2O5S2/c1-29-20(26)18-9-13-8-14(4-6-17(13)30-18)23-19(25)11-24(31(2,27)28)10-12-3-5-15(21)16(22)7-12/h3-9H,10-11H2,1-2H3,(H,23,25)