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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-phenoxypropanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-phenoxypropanethioate CAS Name: 3-phenoxypropanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-phenoxypropanethioate Traditional Name: 3-phenoxypropanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCOC1=CC=CC=C1

InChI

InChI=1S/C20H29NO3S/c1-2-3-4-5-6-10-15-21-19(22)14-17-25-20(23)13-16-24-18-11-8-7-9-12-18/h7-9,11-12,14,17H,2-6,10,13,15-16H2,1H3,(H,21,22)/b17-14+