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

Systemtic Name: methyl 4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 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-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 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)thiophene-2-carboxylic acid methyl ester Formula: C16H11ClN2O4S3 MolecularWeight: 426.91754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O4S3/c1-23-15(20)13-6-9(16(24-2)26-13)14-18-11(7-25-14)8-3-4-10(17)12(5-8)19(21)22/h3-7H,1-2H3