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

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-nitrophenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-furylmethyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-furanylmethyl)-2-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-furfuryl)-2-[[2-(4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H21N3O6S/c26-19(13-31-15-9-7-14(8-10-15)25(28)29)24-22-20(17-5-1-2-6-18(17)32-22)21(27)23-12-16-4-3-11-30-16/h3-4,7-11H,1-2,5-6,12-13H2,(H,23,27)(H,24,26)