2-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C16H11ClN2O3S2 MolecularWeight: 378.85314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

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