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

Systemtic Name: ethyl 5-(2-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-isopropyl-5-(o-tolylsulfanyl)-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(2-methylphenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-isopropyl-5-(o-tolylthio)-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC=CC=C2C)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C(C)C)SC2=CC=CC=C2C)CC3=CC=NC=C3

InChI

InChI=1S/C23H26N2O2S/c1-5-27-23(26)19-15-25(14-18-10-12-24-13-11-18)22(21(19)16(2)3)28-20-9-7-6-8-17(20)4/h6-13,15-16H,5,14H2,1-4H3