2-oxidanylidenepropyl 5-chloranyl-2-methoxy-4-[5-(2-oxidanylidenepropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 2-oxidanylidenepropyl 5-chloranyl-2-methoxy-4-[5-(2-oxidanylidenepropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: acetonyl 4-(5-acetonylsulfanyltetrazol-1-yl)-5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[5-(2-oxopropylthio)-1-tetrazolyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-chloro-2-methoxy-4-[5-(2-oxopropylsulfanyl)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(acetonylthio)tetrazol-1-yl]-5-chloro-2-methoxy-benzoic acid acetonyl ester Formula: C15H15ClN4O5S MolecularWeight: 398.8214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C=C1OC)N2C(=NN=N2)SCC(=O)C)Cl

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C=C1OC)N2C(=NN=N2)SCC(=O)C)Cl

InChI

InChI=1S/C15H15ClN4O5S/c1-8(21)6-25-14(23)10-4-11(16)12(5-13(10)24-3)20-15(17-18-19-20)26-7-9(2)22/h4-5H,6-7H2,1-3H3