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

Systemtic Name: N-[3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-(2-furylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(2-furanylmethylamino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(2-furfurylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-11-4-5-13-15(9-11)30-20(17(13)19(25)21-10-12-3-2-8-28-12)22-18(24)14-6-7-16(29-14)23(26)27/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,21,25)(H,22,24)