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

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-ethylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-ethylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-2-(ethylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-ethylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-2-(ethylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C3=C(NC(=C3)C(=O)OCC)N=C2SCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C3=C(NC(=C3)C(=O)OCC)N=C2SCC

InChI

InChI=1S/C20H23N3O4S/c1-4-26-18(24)14-9-7-13(8-10-14)12-23-16-11-15(19(25)27-5-2)21-17(16)22-20(23)28-6-3/h7-11,21H,4-6,12H2,1-3H3