ethyl 5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(3,5-dimethylphenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-[(3,5-dimethylphenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC(=CC(=C2)C)C)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC(=CC(=C2)C)C)CC3=CC=NC=C3

InChI

InChI=1S/C24H28N2O2S/c1-6-28-24(27)21-15-26(14-19-7-9-25-10-8-19)23(22(21)16(2)3)29-20-12-17(4)11-18(5)13-20/h7-13,15-16H,6,14H2,1-5H3