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

Systemtic Name: 3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H11ClN2O3S2 MolecularWeight: 378.85314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O3S2/c17-10-4-5-13-12(7-10)19-16(24-13)23-8-14(20)18-11-3-1-2-9(6-11)15(21)22/h1-7H,8H2,(H,18,20)(H,21,22)