methyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-bromobenzofuran-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromobenzofuran-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H24BrNO4S MolecularWeight: 490.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C23H24BrNO4S/c1-23(2,3)13-5-7-15-18(11-13)30-21(19(15)22(27)28-4)25-20(26)17-10-12-9-14(24)6-8-16(12)29-17/h6,8-10,13H,5,7,11H2,1-4H3,(H,25,26)