S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (2E,4E)-5-phenylpenta-2,4-dienethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (2E,4E)-5-phenylpenta-2,4-dienethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] (2E,4E)-5-phenylpenta-2,4-dienethioate CAS Name: (2E,4E)-5-phenylpenta-2,4-dienethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] (2E,4E)-5-phenylpenta-2,4-dienethioate Traditional Name: (2E,4E)-5-phenylpenta-2,4-dienethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2S/c1-2-3-4-5-6-12-18-23-21(24)17-19-26-22(25)16-11-10-15-20-13-8-7-9-14-20/h7-11,13-17,19H,2-6,12,18H2,1H3,(H,23,24)/b15-10+,16-11+,19-17+