S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-phenoxyethanethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-phenoxyethanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-phenoxyethanethioate CAS Name: 2-phenoxyethanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-phenoxyethanethioate Traditional Name: 2-phenoxyethanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)COC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C19H27NO3S/c1-2-3-4-5-6-10-14-20-18(21)13-15-24-19(22)16-23-17-11-8-7-9-12-17/h7-9,11-13,15H,2-6,10,14,16H2,1H3,(H,20,21)/b15-13+