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

Systemtic Name: 2-methyl-3-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-methyl-3-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-methyl-3-[(4-phenyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-methyl-3-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-methyl-3-[(4-phenyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)SC1=NC2=C(C=CC=C2S1)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(C(=O)O)SC1=NC2=C(C=CC=C2S1)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO4S2/c1-10(16(20)21)15(17(22)23)25-18-19-14-12(8-5-9-13(14)24-18)11-6-3-2-4-7-11/h2-10,15H,1H3,(H,20,21)(H,22,23)