S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2,4-dimethylbenzenecarbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2,4-dimethylbenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2,4-dimethylbenzenecarbothioate CAS Name: 2,4-dimethylbenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2,4-dimethylbenzenecarbothioate Traditional Name: 2,4-dimethylthiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H29NO2S MolecularWeight: 347.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO2S/c1-4-5-6-7-8-9-13-21-19(22)12-14-24-20(23)18-11-10-16(2)15-17(18)3/h10-12,14-15H,4-9,13H2,1-3H3,(H,21,22)/b14-12+