pentyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: pentyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: pentyl 4-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoic acid amyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-2-3-6-13-26-21(25)14-9-11-15(12-10-14)23-20(24)19-18(22)16-7-4-5-8-17(16)27-19/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,24)