O4-ethyl O2-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-nitro-4-pyrrolidino-benzoyl)amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-4-31-20(26)16-12(2)17(21(27)30-3)32-19(16)22-18(25)13-7-8-14(15(11-13)24(28)29)23-9-5-6-10-23/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,25)