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

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H22ClN3O6S2 MolecularWeight: 548.03098

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O6S2/c1-2-33-23(30)21-19(15-5-3-6-17(13-15)28(31)32)14-36-22(21)27-24(35)26-20(29)7-4-12-34-18-10-8-16(25)9-11-18/h3,5-6,8-11,13-14H,2,4,7,12H2,1H3,(H2,26,27,29,35)