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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-phenylbutanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-phenylbutanethioate CAS Name: 3-phenylbutanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-phenylbutanethioate Traditional Name: 3-phenylbutanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2S/c1-3-4-5-6-7-11-15-22-20(23)14-16-25-21(24)17-18(2)19-12-9-8-10-13-19/h8-10,12-14,16,18H,3-7,11,15,17H2,1-2H3,(H,22,23)/b16-14+