S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2,2-dimethyl-4-oxo-3H-pyran-6-carbothioate CAS Name: 2,2-dimethyl-4-oxo-3H-pyran-6-carbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2,2-dimethyl-4-oxo-3H-pyran-6-carbothioate Traditional Name: 4-keto-2,2-dimethyl-3H-pyran-6-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC(=O)CC(O1)(C)C

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC(=O)CC(O1)(C)C

InChI

InChI=1S/C19H29NO4S/c1-4-5-6-7-8-9-11-20-17(22)10-12-25-18(23)16-13-15(21)14-19(2,3)24-16/h10,12-13H,4-9,11,14H2,1-3H3,(H,20,22)/b12-10+