ethyl 3-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylpropanoate

Systemtic Name: ethyl 3-[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]carbonyl]piperazin-1-yl]sulfonylpropanoate Openeye Name: ethyl 3-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylpropanoate CAS Name: 3-[[4-[[2-(ethylcarbamoylamino)-1-benzothiophen-3-yl]-oxomethyl]-1-piperazinyl]sulfonyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]piperazin-1-yl]sulfonylpropanoate Traditional Name: 3-[4-[2-(ethylcarbamoylamino)benzothiophene-3-carbonyl]piperazino]sulfonylpropionic acid ethyl ester Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)CCC(=O)OCC

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)CCC(=O)OCC

InChI

InChI=1S/C21H28N4O6S2/c1-3-22-21(28)23-19-18(15-7-5-6-8-16(15)32-19)20(27)24-10-12-25(13-11-24)33(29,30)14-9-17(26)31-4-2/h5-8H,3-4,9-14H2,1-2H3,(H2,22,23,28)