methyl 2-(cyclohex-3-en-1-ylcarbothioylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(cyclohex-3-en-1-ylcarbothioylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(cyclohex-3-ene-1-carbothioylamino)-4-methyl-pentanoate CAS Name: 2-[[1-cyclohex-3-enyl(sulfanylidene)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(cyclohex-3-ene-1-carbothioylamino)-4-methylpentanoate Traditional Name: 2-(cyclohex-3-ene-1-carbothioylamino)-4-methyl-valeric acid methyl ester Formula: C14H23NO2S MolecularWeight: 269.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=S)C1CCC=CC1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=S)C1CCC=CC1

InChI

InChI=1S/C14H23NO2S/c1-10(2)9-12(14(16)17-3)15-13(18)11-7-5-4-6-8-11/h4-5,10-12H,6-9H2,1-3H3,(H,15,18)