methyl 3-azanyl-4-(4-chlorophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(4-chlorophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(4-chlorophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(4-chlorophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-chlorophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(4-chlorophenyl)sulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H12ClNO4S3 MolecularWeight: 377.88668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C13H12ClNO4S3/c1-19-12(16)10-9(15)11(13(20-2)21-10)22(17,18)8-5-3-7(14)4-6-8/h3-6H,15H2,1-2H3