5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-methyl-1,2,3,4-tetrazole

Systemtic Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-methyl-1,2,3,4-tetrazole Openeye Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-1-methyl-tetrazole CAS Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-1-methyltetrazole IUPAC Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-methyltetrazole Traditional Name: 5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-1-methyl-tetrazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=NN3C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSC3=NN=NN3C

InChI

InChI=1S/C14H18N4O2S/c1-4-19-12-6-10-5-9(2)20-13(10)7-11(12)8-21-14-15-16-17-18(14)3/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1