ethyl 5-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O6S2/c1-4-26-16(22)14-9(2)7-13(28-14)18-17(27)19-15(21)10-5-6-12(25-3)11(8-10)20(23)24/h5-8H,4H2,1-3H3,(H2,18,19,21,27)