S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 1-methylpyrrole-2-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 1-methylpyrrole-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 1-methylpyrrole-2-carbothioate CAS Name: 1-methyl-2-pyrrolecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 1-methylpyrrole-2-carbothioate Traditional Name: 1-methylpyrrole-2-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=CN1C

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=CN1C

InChI

InChI=1S/C17H26N2O2S/c1-3-4-5-6-7-8-12-18-16(20)11-14-22-17(21)15-10-9-13-19(15)2/h9-11,13-14H,3-8,12H2,1-2H3,(H,18,20)/b14-11+