2-[2-(4-bromanylphenoxy)ethanoylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H25BrN2O4S/c23-14-7-9-15(10-8-14)29-13-19(26)25-22-20(17-5-1-2-6-18(17)30-22)21(27)24-12-16-4-3-11-28-16/h7-10,16H,1-6,11-13H2,(H,24,27)(H,25,26)