S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-(chloromethyl)benzenecarbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-(chloromethyl)benzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-(chloromethyl)benzenecarbothioate CAS Name: 2-(chloromethyl)benzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-(chloromethyl)benzenecarbothioate Traditional Name: 2-(chloromethyl)thiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H26ClNO2S MolecularWeight: 367.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=CC=C1CCl

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=CC=C1CCl

InChI

InChI=1S/C19H26ClNO2S/c1-2-3-4-5-6-9-13-21-18(22)12-14-24-19(23)17-11-8-7-10-16(17)15-20/h7-8,10-12,14H,2-6,9,13,15H2,1H3,(H,21,22)/b14-12+