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

Systemtic Name: 2-[2-(2-nitrophenoxy)ethanoylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-nitrophenoxy)acetyl]amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(2-nitrophenoxy)acetyl]amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4CCCO4

InChI

InChI=1S/C22H25N3O6S/c26-19(13-31-17-9-3-2-8-16(17)25(28)29)24-22-20(15-7-1-4-10-18(15)32-22)21(27)23-12-14-6-5-11-30-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,23,27)(H,24,26)