(2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(2-methyl-3-sulfanylpropanoyl)-4-prop-2-ynyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-(3-mercapto-2-methyl-propanoyl)-4-propargyl-3-pyrroline-2-carboxylic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(=CC1C(=O)O)CC#C

Isomeric SMILES

CC(CS)C(=O)N1CC(=C[C@H]1C(=O)O)CC#C

InChI

InChI=1S/C12H15NO3S/c1-3-4-9-5-10(12(15)16)13(6-9)11(14)8(2)7-17/h1,5,8,10,17H,4,6-7H2,2H3,(H,15,16)/t8?,10-/m0/s1