ethyl 2,5-dimethyl-1-[2-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-(isopentylcarbamothioyl)hydrazino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-[N'-(isoamylthiocarbamoyl)hydrazino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H28N4O3S MolecularWeight: 368.49422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NNC(=S)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NNC(=S)NCCC(C)C)C

InChI

InChI=1S/C17H28N4O3S/c1-6-24-16(23)14-9-12(4)21(13(14)5)10-15(22)19-20-17(25)18-8-7-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,19,22)(H2,18,20,25)