2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-chloro-benzoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-chlorobenzoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-chloro-benzoic acid Formula: C16H11ClN2O3S2 MolecularWeight: 378.85314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

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