S-methyl 2-but-3-en-2-yl-5-(4-methoxyphenyl)cyclopent-2-ene-1-carbothioate

Systemtic Name: S-methyl 2-but-3-en-2-yl-5-(4-methoxyphenyl)cyclopent-2-ene-1-carbothioate Openeye Name: S-methyl 5-(4-methoxyphenyl)-2-(1-methylallyl)cyclopent-2-ene-1-carbothioate CAS Name: 2-but-3-en-2-yl-5-(4-methoxyphenyl)-1-cyclopent-2-enecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-but-3-en-2-yl-5-(4-methoxyphenyl)cyclopent-2-ene-1-carbothioate Traditional Name: 5-(4-methoxyphenyl)-2-(1-methylallyl)cyclopent-2-ene-1-carbothioic acid S-methyl ester Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C1=CCC(C1C(=O)SC)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C=C)C1=CCC(C1C(=O)SC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22O2S/c1-5-12(2)15-10-11-16(17(15)18(19)21-4)13-6-8-14(20-3)9-7-13/h5-10,12,16-17H,1,11H2,2-4H3