6-tert-butyl-2-[(3-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-tert-butyl-2-[(3-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 6-tert-butyl-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 6-tert-butyl-2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-tert-butyl-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 6-tert-butyl-2-[(3-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-20(2,3)12-7-8-14-15(10-12)26-18(16(14)19(24)25)22-17(23)11-5-4-6-13(21)9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H,22,23)(H,24,25)