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

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-2-(methylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-2-(methylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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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=C2SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C3=C(NC(=C3)C(=O)OCC)N=C2SC

InChI

InChI=1S/C19H21N3O4S/c1-4-25-17(23)13-8-6-12(7-9-13)11-22-15-10-14(18(24)26-5-2)20-16(15)21-19(22)27-3/h6-10,20H,4-5,11H2,1-3H3