methyl 2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3-hydroxypropylamino)-3-nitrophenyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-hydroxypropylamino)-3-nitrobenzoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-31-22(28)19-16(14-6-3-2-4-7-14)13-32-21(19)24-20(27)15-8-9-17(23-10-5-11-26)18(12-15)25(29)30/h2-4,6-9,12-13,23,26H,5,10-11H2,1H3,(H,24,27)