ethyl 6-tert-butyl-2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(5-chloro-2-methoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(5-chloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(5-chloro-2-methoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C23H28ClNO4S/c1-6-29-22(27)19-15-9-7-13(23(2,3)4)11-18(15)30-21(19)25-20(26)16-12-14(24)8-10-17(16)28-5/h8,10,12-13H,6-7,9,11H2,1-5H3,(H,25,26)