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

Systemtic Name: 2-(3-methylfuran-2-yl)-3-(2-methyl-3-sulfanyl-propanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(3-methyl-2-furyl)-3-(2-methyl-3-sulfanyl-propanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(3-mercapto-2-methyl-1-oxopropyl)-2-(3-methyl-2-furanyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(3-methylfuran-2-yl)-3-(2-methyl-3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-mercapto-2-methyl-propanoyl)-2-(3-methyl-2-furyl)thiazolidine-4-carboxylic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2N(C(CS2)C(=O)O)C(=O)C(C)CS

Isomeric SMILES

CC1=C(OC=C1)C2N(C(CS2)C(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C13H17NO4S2/c1-7-3-4-18-10(7)12-14(11(15)8(2)5-19)9(6-20-12)13(16)17/h3-4,8-9,12,19H,5-6H2,1-2H3,(H,16,17)