ethyl 2-ethoxycarbonylsulfanyl-4-(3-nitrophenyl)imidazole-1-carboxylate

Systemtic Name: ethyl 2-ethoxycarbonylsulfanyl-4-(3-nitrophenyl)imidazole-1-carboxylate Openeye Name: ethyl 2-ethoxycarbonylsulfanyl-4-(3-nitrophenyl)imidazole-1-carboxylate CAS Name: 2-(ethoxycarbonylthio)-4-(3-nitrophenyl)-1-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethoxycarbonylsulfanyl-4-(3-nitrophenyl)imidazole-1-carboxylate Traditional Name: 2-(carbethoxythio)-4-(3-nitrophenyl)imidazole-1-carboxylic acid ethyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(N=C1SC(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C=C(N=C1SC(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c1-3-23-14(19)17-9-12(16-13(17)25-15(20)24-4-2)10-6-5-7-11(8-10)18(21)22/h5-9H,3-4H2,1-2H3