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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]terephthalic acid Formula: C17H10ClNO5S MolecularWeight: 375.783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H10ClNO5S/c18-13-10-3-1-2-4-12(10)25-14(13)15(20)19-11-7-8(16(21)22)5-6-9(11)17(23)24/h1-7H,(H,19,20)(H,21,22)(H,23,24)