S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (Z)-2,3-diphenylprop-2-enethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] (Z)-2,3-diphenylprop-2-enethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] (Z)-2,3-diphenylprop-2-enethioate CAS Name: (Z)-2,3-diphenyl-2-propenethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] (Z)-2,3-diphenylprop-2-enethioate Traditional Name: (Z)-2,3-diphenylprop-2-enethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C26H31NO2S MolecularWeight: 421.59484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2

InChI

InChI=1S/C26H31NO2S/c1-2-3-4-5-6-13-19-27-25(28)18-20-30-26(29)24(23-16-11-8-12-17-23)21-22-14-9-7-10-15-22/h7-12,14-18,20-21H,2-6,13,19H2,1H3,(H,27,28)/b20-18+,24-21-