butyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(4-isopropylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-propan-2-ylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(cumoylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H25NO3S/c1-4-5-14-27-23(26)20-18-8-6-7-9-19(18)28-22(20)24-21(25)17-12-10-16(11-13-17)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,24,25)