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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (E)-4-phenylbut-3-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] (E)-4-phenylbut-3-enethioate CAS Name: (E)-4-phenyl-3-butenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] (E)-4-phenylbut-3-enethioate Traditional Name: (E)-4-phenylbut-3-enethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CC=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2S/c1-2-3-4-5-6-10-17-22-20(23)16-18-25-21(24)15-11-14-19-12-8-7-9-13-19/h7-9,11-14,16,18H,2-6,10,15,17H2,1H3,(H,22,23)/b14-11+,18-16+