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

Systemtic Name: hexyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: hexyl 4-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoic acid hexyl ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3S/c1-2-3-4-7-14-27-22(26)15-10-12-16(13-11-15)24-21(25)20-19(23)17-8-5-6-9-18(17)28-20/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,25)