methyl 5-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C23H24N2O6S2/c1-15-11-18(33(28,29)25-9-3-4-10-25)6-7-19(15)31-14-22(26)24-17-5-8-20-16(12-17)13-21(32-20)23(27)30-2/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,24,26)