3-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid CAS Name: 3-[[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid Traditional Name: 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid Formula: C23H15ClN2O4S MolecularWeight: 450.8942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C23H15ClN2O4S/c24-19-16-9-2-4-11-18(16)31-20(19)22(28)26-17-10-3-1-8-15(17)21(27)25-14-7-5-6-13(12-14)23(29)30/h1-12H,(H,25,27)(H,26,28)(H,29,30)