S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-chloranyl-2,2-dimethyl-propanethioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-chloranyl-2,2-dimethyl-propanethioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-chloro-2,2-dimethyl-propanethioate CAS Name: 3-chloro-2,2-dimethylpropanethioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-chloro-2,2-dimethylpropanethioate Traditional Name: 3-chloro-2,2-dimethyl-propanethioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C16H28ClNO2S MolecularWeight: 333.91702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C(C)(C)CCl

Isomeric SMILES

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

InChI

InChI=1S/C16H28ClNO2S/c1-4-5-6-7-8-9-11-18-14(19)10-12-21-15(20)16(2,3)13-17/h10,12H,4-9,11,13H2,1-3H3,(H,18,19)/b12-10+