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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4S/c1-3-4-10-27-21(25)13-6-5-7-14(11-13)23-20(24)19-18(22)16-12-15(26-2)8-9-17(16)28-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,23,24)