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

Systemtic Name: 2-methylpropyl 4-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]benzoic acid isobutyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4S/c1-12(2)11-27-21(25)13-4-6-14(7-5-13)23-20(24)19-18(22)16-10-15(26-3)8-9-17(16)28-19/h4-10,12H,11H2,1-3H3,(H,23,24)