ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-[(4-isopropylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazo]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[N'-(p-cumenylthiocarbamoyl)hydrazino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NNC(=S)NC2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NNC(=S)NC2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H28N4O3S/c1-6-28-20(27)18-11-14(4)25(15(18)5)12-19(26)23-24-21(29)22-17-9-7-16(8-10-17)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,23,26)(H2,22,24,29)