ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(2-thioxo-1H-imidazol-3-yl)anilino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(2-thioxo-4-imidazolin-1-yl)anilino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)N3C=CNC3=S)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)N3C=CNC3=S)C

InChI

InChI=1S/C20H22N4O3S/c1-4-27-19(26)17-10-13(2)24(14(17)3)12-18(25)22-15-6-5-7-16(11-15)23-9-8-21-20(23)28/h5-11H,4,12H2,1-3H3,(H,21,28)(H,22,25)