ethyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-methylsulfonyl-benzoyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-mesyl-benzoyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C17H18ClNO5S2/c1-4-11-9-12(17(21)24-5-2)16(25-11)19-15(20)10-6-7-13(18)14(8-10)26(3,22)23/h6-9H,4-5H2,1-3H3,(H,19,20)