methyl 2-[4,5-dimethyl-2-(2-phenylsulfanylpropan-2-yl)cyclohexa-1,4-dien-1-yl]prop-2-enoate

Systemtic Name: methyl 2-[4,5-dimethyl-2-(2-phenylsulfanylpropan-2-yl)cyclohexa-1,4-dien-1-yl]prop-2-enoate Openeye Name: methyl 2-[4,5-dimethyl-2-(1-methyl-1-phenylsulfanyl-ethyl)cyclohexa-1,4-dien-1-yl]prop-2-enoate CAS Name: 2-[4,5-dimethyl-2-[2-(phenylthio)propan-2-yl]-1-cyclohexa-1,4-dienyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[4,5-dimethyl-2-(2-phenylsulfanylpropan-2-yl)cyclohexa-1,4-dien-1-yl]prop-2-enoate Traditional Name: 2-[4,5-dimethyl-2-[1-methyl-1-(phenylthio)ethyl]cyclohexa-1,4-dien-1-yl]acrylic acid methyl ester Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)C(=C)C(=O)OC)C(C)(C)SC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(CC(=C(C1)C(=C)C(=O)OC)C(C)(C)SC2=CC=CC=C2)C

InChI

InChI=1S/C21H26O2S/c1-14-12-18(16(3)20(22)23-6)19(13-15(14)2)21(4,5)24-17-10-8-7-9-11-17/h7-11H,3,12-13H2,1-2,4-6H3