N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NCC4=CC=CO4

InChI

InChI=1S/C19H17N3O6S/c23-17(13-7-8-15(28-13)22(25)26)21-19-16(12-5-1-2-6-14(12)29-19)18(24)20-10-11-4-3-9-27-11/h3-4,7-9H,1-2,5-6,10H2,(H,20,24)(H,21,23)