ethyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S2/c1-5-18(25(32(4,28)29)16-13-11-15(3)12-14-16)21(26)24-22-20(23(27)30-6-2)17-9-7-8-10-19(17)31-22/h11-14,18H,5-10H2,1-4H3,(H,24,26)