5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-methyl-2-oxidanyl-benzoate Openeye Name: 5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-2-hydroxy-3-methyl-benzoate CAS Name: 5-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-hydroxy-3-methylbenzoate IUPAC Name: 5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-3-methylbenzoate Traditional Name: 5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-2-hydroxy-3-methyl-benzoate Formula: C17H10Cl2NO4S- MolecularWeight: 395.2366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)[O-])O

InChI

InChI=1S/C17H11Cl2NO4S/c1-7-4-9(6-11(14(7)21)17(23)24)20-16(22)15-13(19)10-3-2-8(18)5-12(10)25-15/h2-6,21H,1H3,(H,20,22)(H,23,24)/p-1