chloranyl 5-ethyl-2-methanethioyl-pyrimidine-4-carboxylate

Systemtic Name: chloranyl 5-ethyl-2-methanethioyl-pyrimidine-4-carboxylate Openeye Name: chloro 5-ethyl-2-methanethioyl-pyrimidine-4-carboxylate CAS Name: 5-ethyl-2-methanethioyl-4-pyrimidinecarboxylic acid chloro ester IUPAC Name: chloro 5-ethyl-2-methanethioylpyrimidine-4-carboxylate Traditional Name: 5-ethyl-2-thioformyl-pyrimidine-4-carboxylic acid chloro ester Formula: C8H7ClN2O2S MolecularWeight: 230.67138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1C(=O)OCl)C=S

Isomeric SMILES

CCC1=CN=C(N=C1C(=O)OCl)C=S

InChI

InChI=1S/C8H7ClN2O2S/c1-2-5-3-10-6(4-14)11-7(5)8(12)13-9/h3-4H,2H2,1H3