6-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanyl-2-methyl-5-sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-5-mercapto-2-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 6-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-2-methyl-5-sulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]-5-mercapto-2-methyl-pyrimidine-4-carboxylic acid Formula: C14H15N3O4S3 MolecularWeight: 385.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=NC(=NC(=C2S)C(=O)O)C)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=NC(=NC(=C2S)C(=O)O)C)C

InChI

InChI=1S/C14H15N3O4S3/c1-4-21-9(18)5-8-6(2)15-14(23-8)24-12-11(22)10(13(19)20)16-7(3)17-12/h22H,4-5H2,1-3H3,(H,19,20)