4-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C17H11Cl2NO3S MolecularWeight: 380.24514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H11Cl2NO3S/c18-11-5-6-12-13(7-11)24-15(14(12)19)16(21)20-8-9-1-3-10(4-2-9)17(22)23/h1-7H,8H2,(H,20,21)(H,22,23)