methyl 5-[2-(4-morpholin-4-ylsulfonylphenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(4-morpholin-4-ylsulfonylphenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(4-morpholinosulfonylphenoxy)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-(4-morpholinylsulfonyl)phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(4-morpholinosulfonylphenoxy)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22N2O7S2/c1-29-22(26)20-13-15-12-16(2-7-19(15)32-20)23-21(25)14-31-17-3-5-18(6-4-17)33(27,28)24-8-10-30-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)