[3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 3-methyl-2-[(4-methylsulfanylphenyl)amino]butanoate

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 3-methyl-2-[(4-methylsulfanylphenyl)amino]butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 3-methyl-2-(4-methylsulfanylanilino)butanoate CAS Name: 3-methyl-2-[4-(methylthio)anilino]butanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 3-methyl-2-(4-methylsulfanylanilino)butanoate Traditional Name: 3-methyl-2-[4-(methylthio)anilino]butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C24H28N2O2S MolecularWeight: 408.55632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CN1)CC2=CC=CC=C2)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(C=CN1)CC2=CC=CC=C2)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H28N2O2S/c1-17(2)23(26-20-9-11-21(29-3)12-10-20)24(27)28-16-22-19(13-14-25-22)15-18-7-5-4-6-8-18/h4-14,17,23,25-26H,15-16H2,1-3H3