2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C12H10ClNO4S2 MolecularWeight: 331.7951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)SC(CC(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)SC(CC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C12H10ClNO4S2/c1-5-2-6(13)3-7-10(5)14-12(19-7)20-8(11(17)18)4-9(15)16/h2-3,8H,4H2,1H3,(H,15,16)(H,17,18)