2-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-sulfanyl-propanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-sulfanyl-propanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-sulfanyl-propanoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(3-mercapto-2-methyl-1-oxopropyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(3-mercapto-2-methyl-propanoyl)thiazolidine-4-carboxylic acid Formula: C15H17NO5S2 MolecularWeight: 355.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CSC1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(CSC1C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H17NO5S2/c1-8(5-22)13(17)16-10(15(18)19)6-23-14(16)9-2-3-11-12(4-9)21-7-20-11/h2-4,8,10,14,22H,5-7H2,1H3,(H,18,19)