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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-phenylpropanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H29NO2S MolecularWeight: 347.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H29NO2S/c1-2-3-4-5-6-10-16-21-19(22)15-17-24-20(23)14-13-18-11-8-7-9-12-18/h7-9,11-12,15,17H,2-6,10,13-14,16H2,1H3,(H,21,22)/b17-15+