ethyl 2,4-dimethyl-5-[[(phenylmethyl)-(2-phenylsulfanylethanoyl)amino]methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(phenylmethyl)-(2-phenylsulfanylethanoyl)amino]methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[benzyl-(2-phenylsulfanylacetyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[1-oxo-2-(phenylthio)ethyl]-(phenylmethyl)amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[benzyl-(2-phenylsulfanylacetyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[benzyl-[2-(phenylthio)acetyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O3S/c1-4-30-25(29)24-18(2)22(26-19(24)3)16-27(15-20-11-7-5-8-12-20)23(28)17-31-21-13-9-6-10-14-21/h5-14,26H,4,15-17H2,1-3H3