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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 1,2,3,4-tetrahydronaphthalene-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] tetralin-2-carbothioate CAS Name: 1,2,3,4-tetrahydronaphthalene-2-carbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 1,2,3,4-tetrahydronaphthalene-2-carbothioate Traditional Name: tetralin-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1CCC2=CC=CC=C2C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1CCC2=CC=CC=C2C1

InChI

InChI=1S/C22H31NO2S/c1-2-3-4-5-6-9-15-23-21(24)14-16-26-22(25)20-13-12-18-10-7-8-11-19(18)17-20/h7-8,10-11,14,16,20H,2-6,9,12-13,15,17H2,1H3,(H,23,24)/b16-14+