2-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(5-chloro-2-hydroxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(5-chloro-2-hydroxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(5-chloro-2-hydroxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)O)C(=O)O

InChI

InChI=1S/C16H14ClNO4S/c17-8-5-6-11(19)10(7-8)14(20)18-15-13(16(21)22)9-3-1-2-4-12(9)23-15/h5-7,19H,1-4H2,(H,18,20)(H,21,22)