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

Systemtic Name: N-[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(2-methoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-29-14-8-4-3-7-13(14)22-20(26)18-12-6-2-5-9-16(12)31-21(18)23-19(25)15-10-11-17(30-15)24(27)28/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,22,26)(H,23,25)