(2-cyclohexylsulfanyl-5-nitro-phenyl)methyl thiophene-2-carboxylate

Systemtic Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl thiophene-2-carboxylate Openeye Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(cyclohexylthio)-5-nitrophenyl]methyl ester IUPAC Name: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(cyclohexylthio)-5-nitro-benzyl] ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19NO4S2/c20-18(17-7-4-10-24-17)23-12-13-11-14(19(21)22)8-9-16(13)25-15-5-2-1-3-6-15/h4,7-11,15H,1-3,5-6,12H2