pentyl 4-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: pentyl 4-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: pentyl 4-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-chloro-5-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]benzoic acid amyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-3-4-5-12-28-22(26)14-6-8-15(9-7-14)24-21(25)20-19(23)17-13-16(27-2)10-11-18(17)29-20/h6-11,13H,3-5,12H2,1-2H3,(H,24,25)