ethyl 2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(3-hydroxypropylamino)-3-nitrophenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-hydroxypropylamino)-3-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-2-30-21(27)18-14-6-3-4-7-17(14)31-20(18)23-19(26)13-8-9-15(22-10-5-11-25)16(12-13)24(28)29/h8-9,12,22,25H,2-7,10-11H2,1H3,(H,23,26)