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

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]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)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H24N4O7S2 MolecularWeight: 520.57856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7S2/c1-4-33-20(28)16-12(2)17(21(29)32-3)35-19(16)24-22(34)23-18(27)13-7-8-14(15(11-13)26(30)31)25-9-5-6-10-25/h7-8,11H,4-6,9-10H2,1-3H3,(H2,23,24,27,34)