S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] pyrrolidine-1-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] pyrrolidine-1-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C16H28N2O2S MolecularWeight: 312.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)N1CCCC1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)N1CCCC1

InChI

InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-7-11-17-15(19)10-14-21-16(20)18-12-8-9-13-18/h10,14H,2-9,11-13H2,1H3,(H,17,19)/b14-10+