2-[(3-propyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(3-propyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(3-propyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(3-propyl-2H-1,3-benzothiazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(3-propyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(3-propyl-2H-1,3-benzothiazol-2-yl)thio]methyl]succinic acid Formula: C15H19NO4S2 MolecularWeight: 341.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(SC2=CC=CC=C21)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1C(SC2=CC=CC=C21)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H19NO4S2/c1-2-7-16-11-5-3-4-6-12(11)22-15(16)21-9-10(14(19)20)8-13(17)18/h3-6,10,15H,2,7-9H2,1H3,(H,17,18)(H,19,20)