2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[[4-(methylthio)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[[4-(methylthio)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C12H11NO4S3 MolecularWeight: 329.41504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO4S3/c1-18-6-3-2-4-7-10(6)13-12(19-7)20-8(11(16)17)5-9(14)15/h2-4,8H,5H2,1H3,(H,14,15)(H,16,17)