ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-2-(propylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-2-(propylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OCC)C=C(N2)C(=O)OCC

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OCC)C=C(N2)C(=O)OCC

InChI

InChI=1S/C21H25N3O4S/c1-4-11-29-21-23-18-17(12-16(22-18)20(26)28-6-3)24(21)13-14-7-9-15(10-8-14)19(25)27-5-2/h7-10,12,22H,4-6,11,13H2,1-3H3