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

Systemtic Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Openeye Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate CAS Name: 1-[(4-methoxyphenyl)methyl]-2-(methylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate Traditional Name: 2-(methylthio)-1-p-anisyl-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)N=C(N2CC3=CC=C(C=C3)OC)SC

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)N=C(N2CC3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C17H19N3O3S/c1-4-23-16(21)13-9-14-15(18-13)19-17(24-3)20(14)10-11-5-7-12(22-2)8-6-11/h5-9,18H,4,10H2,1-3H3