S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-methylcyclohexa-2,5-diene-1-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-methylcyclohexa-2,5-diene-1-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-methylcyclohexa-2,5-diene-1-carbothioate CAS Name: 2-methyl-1-cyclohexa-2,5-dienecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-methylcyclohexa-2,5-diene-1-carbothioate Traditional Name: 2-methylcyclohexa-2,5-diene-1-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H29NO2S MolecularWeight: 335.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1C=CCC=C1C

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1C=CCC=C1C

InChI

InChI=1S/C19H29NO2S/c1-3-4-5-6-7-10-14-20-18(21)13-15-23-19(22)17-12-9-8-11-16(17)2/h9,11-13,15,17H,3-8,10,14H2,1-2H3,(H,20,21)/b15-13+