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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-methylbenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H27NO2S MolecularWeight: 333.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2S/c1-3-4-5-6-7-8-14-20-18(21)13-15-23-19(22)17-11-9-16(2)10-12-17/h9-13,15H,3-8,14H2,1-2H3,(H,20,21)/b15-13+