S-methyl (E)-3-(2-methylphenyl)prop-2-enethioate

Systemtic Name: S-methyl (E)-3-(2-methylphenyl)prop-2-enethioate Openeye Name: S-methyl (E)-3-(o-tolyl)prop-2-enethioate CAS Name: (E)-3-(2-methylphenyl)-2-propenethioic acid S-methyl ester IUPAC Name: S-methyl (E)-3-(2-methylphenyl)prop-2-enethioate Traditional Name: (E)-3-(o-tolyl)prop-2-enethioic acid S-methyl ester Formula: C11H12OS MolecularWeight: 192.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)SC

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)SC

InChI

InChI=1S/C11H12OS/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+