ethyl 2-[(4-chloranylphenoxy)methyl]-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(4-chloranylphenoxy)methyl]-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-chlorophenoxy)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(4-chlorophenoxy)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenoxy)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[(4-chlorophenoxy)methyl]-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N(C1=O)N=C(S2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2N(C1=O)N=C(S2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H12ClN3O4S/c1-2-22-14(21)11-7-17-15-19(13(11)20)18-12(24-15)8-23-10-5-3-9(16)4-6-10/h3-7H,2,8H2,1H3