methyl 2-(4,5-dimethyl-2-phenylsulfanyl-cyclohexa-1,4-dien-1-yl)prop-2-enoate

Systemtic Name: methyl 2-(4,5-dimethyl-2-phenylsulfanyl-cyclohexa-1,4-dien-1-yl)prop-2-enoate Openeye Name: methyl 2-(4,5-dimethyl-2-phenylsulfanyl-cyclohexa-1,4-dien-1-yl)prop-2-enoate CAS Name: 2-[4,5-dimethyl-2-(phenylthio)-1-cyclohexa-1,4-dienyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-(4,5-dimethyl-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)prop-2-enoate Traditional Name: 2-[4,5-dimethyl-2-(phenylthio)cyclohexa-1,4-dien-1-yl]acrylic acid methyl ester Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2S/c1-12-10-16(14(3)18(19)20-4)17(11-13(12)2)21-15-8-6-5-7-9-15/h5-9H,3,10-11H2,1-2,4H3