ethyl 2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O5S2/c1-4-29-21(26)19-16-10-5-13(2)11-17(16)30-20(19)23-18(25)12-24(3)31(27,28)15-8-6-14(22)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,25)