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

Systemtic Name: butyl 2-[(4-methylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(4-methylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-methylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(p-toluoylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-3-4-13-25-21(24)18-16-7-5-6-8-17(16)26-20(18)22-19(23)15-11-9-14(2)10-12-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)