S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-phenoxybutanethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-phenoxybutanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-phenoxybutanethioate CAS Name: 4-phenoxybutanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-phenoxybutanethioate Traditional Name: 4-phenoxybutanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCCOC1=CC=CC=C1

InChI

InChI=1S/C21H31NO3S/c1-2-3-4-5-6-10-16-22-20(23)15-18-26-21(24)14-11-17-25-19-12-8-7-9-13-19/h7-9,12-13,15,18H,2-6,10-11,14,16-17H2,1H3,(H,22,23)/b18-15+