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

Systemtic Name: N-[3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(2,5-dimethoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7S/c1-30-12-7-8-15(31-2)14(11-12)23-21(27)19-13-5-3-4-6-17(13)33-22(19)24-20(26)16-9-10-18(32-16)25(28)29/h7-11H,3-6H2,1-2H3,(H,23,27)(H,24,26)