[4-[(4-acetyloxy-3-ethyl-phenyl)methyl]-5-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl ethanoate

Systemtic Name: [4-[(4-acetyloxy-3-ethyl-phenyl)methyl]-5-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl ethanoate Openeye Name: [4-[(4-acetoxy-3-ethyl-phenyl)methyl]-5-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl acetate CAS Name: acetic acid [4-[(4-acetyloxy-3-ethylphenyl)methyl]-5-sulfinyl-1-cyclohexa-1,3-dienyl]methyl ester IUPAC Name: [4-[(4-acetyloxy-3-ethylphenyl)methyl]-5-sulfinylcyclohexa-1,3-dien-1-yl]methyl acetate Traditional Name: acetic acid [4-(4-acetoxy-3-ethyl-benzyl)-5-sulfinyl-cyclohexa-1,3-dien-1-yl]methyl ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC2=CC=C(CC2=S=O)COC(=O)C)OC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CC2=CC=C(CC2=S=O)COC(=O)C)OC(=O)C

InChI

InChI=1S/C20H22O5S/c1-4-17-9-15(6-8-19(17)25-14(3)22)10-18-7-5-16(11-20(18)26-23)12-24-13(2)21/h5-9H,4,10-12H2,1-3H3