methyl 5-tert-butyl-3-[(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonylamino]thiophene-2-carboxylate CAS Name: 5-tert-butyl-3-[(4-chloro-2-mercapto-5-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[(4-chloro-5-methyl-2-sulfanylphenyl)sulfonylamino]thiophene-2-carboxylate Traditional Name: 5-tert-butyl-3-[(4-chloro-2-mercapto-5-methyl-phenyl)sulfonylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H20ClNO4S3 MolecularWeight: 433.993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H20ClNO4S3/c1-9-6-13(12(24)7-10(9)18)26(21,22)19-11-8-14(17(2,3)4)25-15(11)16(20)23-5/h6-8,19,24H,1-5H3