methyl 2-(cyclohex-3-en-1-ylcarbothioylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(cyclohex-3-en-1-ylcarbothioylamino)-3-methyl-butanoate Openeye Name: methyl 2-(cyclohex-3-ene-1-carbothioylamino)-3-methyl-butanoate CAS Name: 2-[[1-cyclohex-3-enyl(sulfanylidene)methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(cyclohex-3-ene-1-carbothioylamino)-3-methylbutanoate Traditional Name: 2-(cyclohex-3-ene-1-carbothioylamino)-3-methyl-butyric acid methyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2S/c1-9(2)11(13(15)16-3)14-12(17)10-7-5-4-6-8-10/h4-5,9-11H,6-8H2,1-3H3,(H,14,17)