2-[(2-nitrophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-nitrophenyl)carbonylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-nitrobenzoyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-nitrobenzoyl)amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4CCCO4

InChI

InChI=1S/C21H23N3O5S/c25-19(14-7-1-3-9-16(14)24(27)28)23-21-18(15-8-2-4-10-17(15)30-21)20(26)22-12-13-6-5-11-29-13/h1,3,7,9,13H,2,4-6,8,10-12H2,(H,22,26)(H,23,25)