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

Systemtic Name: dimethyl 3-methyl-5-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N3O8S/c1-10-14(18(25)29-2)17(31-15(10)19(26)30-3)21-16(24)11-5-6-12(20-7-4-8-23)13(9-11)22(27)28/h5-6,9,20,23H,4,7-8H2,1-3H3,(H,21,24)