ethyl 5-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(2-cyanophenyl)thio]benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

InChI

InChI=1S/C25H22N2O5S/c1-4-31-25(30)22-15(2)23(27-16(22)3)19(28)14-32-24(29)18-10-6-8-12-21(18)33-20-11-7-5-9-17(20)13-26/h5-12,27H,4,14H2,1-3H3