4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]-5-(methylthio)-2-thiophenecarboxylate IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]-5-(methylthio)-2-thenoate Formula: C15H8ClN2O4S3- MolecularWeight: 411.88302

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)[O-])C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)[O-])C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9ClN2O4S3/c1-23-15-8(5-12(25-15)14(19)20)13-17-10(6-24-13)7-2-3-9(16)11(4-7)18(21)22/h2-6H,1H3,(H,19,20)/p-1