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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-chloranylbutanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-chlorobutanethioate CAS Name: 4-chlorobutanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-chlorobutanethioate Traditional Name: 4-chlorobutanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C15H26ClNO2S MolecularWeight: 319.89044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCCCl

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCCCl

InChI

InChI=1S/C15H26ClNO2S/c1-2-3-4-5-6-7-12-17-14(18)10-13-20-15(19)9-8-11-16/h10,13H,2-9,11-12H2,1H3,(H,17,18)/b13-10+