4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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