5-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoate Openeye Name: 5-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxy-benzoate CAS Name: 5-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxybenzoate Traditional Name: 5-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-2-hydroxy-benzoate Formula: C16H10ClN2O4S2- MolecularWeight: 393.8446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C(=O)[O-])O

InChI

InChI=1S/C16H11ClN2O4S2/c17-8-1-4-13-11(5-8)19-16(25-13)24-7-14(21)18-9-2-3-12(20)10(6-9)15(22)23/h1-6,20H,7H2,(H,18,21)(H,22,23)/p-1