ethyl 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate

Systemtic Name: ethyl 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate Openeye Name: ethyl 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid ethyl ester Formula: C15H17ClN4O4S2 MolecularWeight: 416.90288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)CSC2=NN=NN2C3CC3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)CSC2=NN=NN2C3CC3)Cl

InChI

InChI=1S/C15H17ClN4O4S2/c1-3-24-14(21)10-6-7-12(26(2,22)23)11(13(10)16)8-25-15-17-18-19-20(15)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3