S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-ethanoyl-2,2-dimethyl-cyclobutane-1-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-ethanoyl-2,2-dimethyl-cyclobutane-1-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-acetyl-2,2-dimethyl-cyclobutanecarbothioate CAS Name: 3-acetyl-2,2-dimethyl-1-cyclobutanecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-acetyl-2,2-dimethylcyclobutane-1-carbothioate Traditional Name: 3-acetyl-2,2-dimethyl-cyclobutanecarbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1CC(C1(C)C)C(=O)C

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1CC(C1(C)C)C(=O)C

InChI

InChI=1S/C20H33NO3S/c1-5-6-7-8-9-10-12-21-18(23)11-13-25-19(24)17-14-16(15(2)22)20(17,3)4/h11,13,16-17H,5-10,12,14H2,1-4H3,(H,21,23)/b13-11+