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

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(N-mesyl-4-methoxy-anilino)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N(C3=CC=C(C=C3)OC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-13(23(31(4,26)27)14-9-11-15(28-2)12-10-14)19(24)22-20-18(21(25)29-3)16-7-5-6-8-17(16)30-20/h9-13H,5-8H2,1-4H3,(H,22,24)