2-[2-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(2-acetamidoethylamino)-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[2-(2-acetamidoethylamino)-2-oxoethyl]thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(2-acetamidoethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(2-acetamidoethylamino)-2-keto-ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)NCCNC(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)NCCNC(=O)C)CC(=O)O

InChI

InChI=1S/C12H17N3O4S2/c1-7-9(5-11(18)19)21-12(15-7)20-6-10(17)14-4-3-13-8(2)16/h3-6H2,1-2H3,(H,13,16)(H,14,17)(H,18,19)