methyl (6R)-6-methyl-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-methyl-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-methyl-2-[[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[1-oxo-2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-methyl-2-[[2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O6S2/c1-14-5-7-16-17(11-14)32-21(20(16)22(28)31-2)23-18(26)13-24-12-15(6-8-19(24)27)33(29,30)25-9-3-4-10-25/h6,8,12,14H,3-5,7,9-11,13H2,1-2H3,(H,23,26)/t14-/m1/s1