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

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(3-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H22BrNO3S MolecularWeight: 436.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO3S/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)