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

Systemtic Name: 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C17H12ClNO3S/c18-14-12-3-1-2-4-13(12)23-15(14)16(20)19-9-10-5-7-11(8-6-10)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22)