methyl 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O6S2/c1-13(24)14-7-6-8-15(11-14)23(31(3,27)28)12-18(25)22-20-19(21(26)29-2)16-9-4-5-10-17(16)30-20/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,22,25)