diethyl 3-methyl-5-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(3-hydroxypropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(3-hydroxypropylamino)-3-nitrobenzoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(3-hydroxypropylamino)-3-nitro-benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-4-31-20(27)16-12(3)17(21(28)32-5-2)33-19(16)23-18(26)13-7-8-14(22-9-6-10-25)15(11-13)24(29)30/h7-8,11,22,25H,4-6,9-10H2,1-3H3,(H,23,26)