4-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-oxidanyl-3-oxidanylidene-pentanethioic S-acid

Systemtic Name: 4-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-oxidanyl-3-oxidanylidene-pentanethioic S-acid Openeye Name: 4-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-hydroxy-3-oxo-pentanethioic S-acid CAS Name: 4-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-hydroxy-3-oxopentanethioic S-acid IUPAC Name: 4-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-hydroxy-3-oxopentanethioic S-acid Traditional Name: 4-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-hydroxy-3-keto-thiovaleric acid Formula: C18H14ClNO5S2 MolecularWeight: 423.89046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)S)O)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)C(C(=O)S)O)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO5S2/c1-9(15(21)16(22)17(23)26)24-11-3-5-12(6-4-11)25-18-20-13-7-2-10(19)8-14(13)27-18/h2-9,16,22H,1H3,(H,23,26)