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

Systemtic Name: diethyl 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H26N4O7S2 MolecularWeight: 534.60514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O7S2/c1-4-33-21(29)17-13(3)18(22(30)34-5-2)36-20(17)25-23(35)24-19(28)14-8-9-15(16(12-14)27(31)32)26-10-6-7-11-26/h8-9,12H,4-7,10-11H2,1-3H3,(H2,24,25,28,35)