ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C

InChI

InChI=1S/C25H25N3O6S2/c1-3-33-24(30)22-20(17-6-4-7-18(14-17)28(31)32)15-36-23(22)27-25(35)26-21(29)8-5-13-34-19-11-9-16(2)10-12-19/h4,6-7,9-12,14-15H,3,5,8,13H2,1-2H3,(H2,26,27,29,35)